Nitrendipine supplier | CasNO.39562-70-4

Name
Nitrendipine
EINECS 254-513-1
CAS No. 39562-70-4
Article Data29
CAS DataBase
Density 1.247 g/cm³
Solubility methanol: 15 mg/mL
Melting Point 158 °C
Formula C₁₈H₂₀N₂O₆
Boiling Point 488.9 °C at 760 mmHg
Molecular Weight 360.367
Flash Point 249.5 °C
Transport Information
Appearance Crystalline solid
Safety 36
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester (9CI);BAY-e 5009;Bayotensin;Baypress;Bylotensin;Deiten;Nidrel;Nitrendipin;Nitrepin;
PSA 110.45000
LogP 3.41770

Synthetic route

: 141-97-9
ethyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 14205-39-1
methyl 3-aminocrotonate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With sodium tosylate In water for 0.4h; Reagent/catalyst; Time; Hantzsch Dihydropyridine Synthesis; Microwave irradiation; Reflux; Green chemistry;	94%
With C21H38N(1+)Mo11O40PV(4-)3H(1+) In ethanol at 78℃; for 8h; Catalytic behavior; Hantzsch Pyridine Synthesis; Green chemistry;	78%
Hantzsch Dihydropyridine Synthesis; Darkness; Reflux;	59%

...Expand

: Benzyl-{2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-ethyl}-dimethyl-ammonium; iodide

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃;	92%

: (S)-1,1-Dibenzyl-3-[(R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-piperidinium; bromide

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃; for 24h;	92%
Multi-step reaction with 3 steps 1: 67 percent / KOH / tetrahydrofuran / 24 h / 25 °C 2: 93 percent / acetone / Heating 3: 92 percent / KOH / ethanol / 25 °C View Scheme

: 67-56-1
methanol

: C23H27N4O6(1+)*F6P(1-)

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With sodium methylate for 16h; Reflux;	92%

: (S)-1-Benzyl-3-[(R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-1-methyl-piperidinium; iodide

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃;	91%
Multi-step reaction with 3 steps 1: 32 percent / KOH / tetrahydrofuran / 25 °C 2: 93 percent / acetone / Heating 3: 92 percent / KOH / ethanol / 25 °C View Scheme

: ethyl aminocrotonate

: 119128-13-1
methyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In isopropyl alcohol for 10h; Heating / reflux;	89%

: 39562-17-9
methyl 2-(3-nitrophenylmethylene)acetoacetate

: 626-34-6, 7318-00-5, 41867-20-3
ethyl aminocrotonate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In ethanol for 6h; Reflux;	86%
at 90℃; for 0.15h; Microwave irradiation;

: 21731-17-9
methyl 3-aminocrotonate

: 39562-16-8
ethyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Stage #1: methyl 3-aminocrotonate; ethyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate In ethanol at 75 - 80℃; for 1h; Stage #2: With acetic anhydride In ethanol at 75 - 80℃; for 1h; Solvent;	86%

: (S)-1-Allyl-1-benzyl-3-[(R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyloxy]-piperidinium; bromide

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃;	85%
Multi-step reaction with 3 steps 1: 26 percent / KOH / tetrahydrofuran / 25 °C 2: 93 percent / acetone / Heating 3: 92 percent / KOH / ethanol / 25 °C View Scheme

: 39562-16-8
ethyl 2-(3-nitrophenylmethylene)-3-oxobutanoate

: 14205-39-1
methyl 3-aminocrotonate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Stage #1: ethyl 2-(3-nitrophenylmethylene)-3-oxobutanoate; methyl 3-aminocrotonate In ethanol at 70 - 75℃; for 1h; Stage #2: With hydrogenchloride In ethanol; water at 70 - 75℃;	80%
In ethanol for 8h; Heating;	79%
With acetic acid; N-ethyl-N,N-diisopropylamine In ethanol Reflux;

: 39562-16-8
ethyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate

: 81777-30-2
1,1,1-Triphenyl-3-methyl-4-(methoxycarbonyl)-2-aza-1λ5-phosphabuta-1,3-diene

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In chloroform at 25℃; for 0.5h;	77%

: 141-97-9
ethyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 14205-39-1
methyl (E)-3-aminocrotonate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With sodium butylmonoglycolsulphate In water for 0.0833333h; Heating; Irradiation; microwave irradiation;	72%

...Expand

: 70076-42-5
3'-nitrobenzylideneacetoacetic acid ethyl ester

: 21731-17-9
methyl 3-aminocrotonate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In ethanol	67%

: 141-97-9
ethyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With aluminum oxide; ammonia In methanol Hantzsch pyridine synthesis; Heating;	50%
With pyridine; 4 A molecular sieve; polysterene-based acid-cleavable Rink amine resin; trifluoroacetic acid 1) CH2Cl2, rt, 3 d; 2) 45 deg C, 24 h; 3) CH2Cl2, 45 min;; Yield given. Multistep reaction;

...Expand

: 119128-13-1
methyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate

: 141-97-9
ethyl acetoacetate

A: 21881-77-6
m-nifedipine

B: 21829-28-7
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

C: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol for 24h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 141-97-9
ethyl acetoacetate

: 99-61-6
3-nitro-benzaldehyde

: 14205-39-1
methyl (E)-3-aminocrotonate

A: 21881-77-6
m-nifedipine

B: 21829-28-7
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

C: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In ethanol for 10h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 99-61-6
3-nitro-benzaldehyde

: 41867-20-3
ethyl (E)-3-aminobut-2-enoate

: 105-45-3
acetoacetic acid methyl ester

A: 21881-77-6
m-nifedipine

B: 21829-28-7
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

C: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
In ethanol for 10h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 39562-16-8
ethyl (Z)-2-(3-nitrobenzylidene)-3-oxobutanoate

: 105-45-3
acetoacetic acid methyl ester

A: 21881-77-6
m-nifedipine

B: 21829-28-7
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

C: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol for 24h; Ambient temperature; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 55985-32-5
Nicardipine

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 93 percent / acetone / Heating 2: 92 percent / KOH / ethanol / 25 °C View Scheme

: (R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((S)-1-benzyl-piperidin-3-yl) ester 5-methyl ester

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 93 percent / CHCl3 / Heating 2: 67 percent / KOH / tetrahydrofuran / 24 h / 25 °C 3: 93 percent / acetone / Heating 4: 92 percent / KOH / ethanol / 25 °C View Scheme
Multi-step reaction with 2 steps 1: 93 percent / CHCl3 / Heating 2: 92 percent / KOH / ethanol / 24 h / 25 °C View Scheme
Multi-step reaction with 4 steps 1: 95 percent / CHCl3 / Heating 2: 26 percent / KOH / tetrahydrofuran / 25 °C 3: 93 percent / acetone / Heating 4: 92 percent / KOH / ethanol / 25 °C View Scheme

: 99-61-6
3-nitro-benzaldehyde

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: gaseous HCl / toluene / 40 h / Ambient temperature 2: 79 percent / ethanol / 8 h / Heating View Scheme
Multi-step reaction with 2 steps 1: piperidine; acetic acid / 30 °C / Neat (no solvent) 2: ethanol / 6 h / Reflux View Scheme

: 105-45-3
acetoacetic acid methyl ester

n-C7H15Br or n-C7H15I: n-C7H15Br or n-C7H15I

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: gaseous NH3, p-toluenesulfonic acid / toluene / Heating 2: 79 percent / ethanol / 8 h / Heating View Scheme

: 131767-68-5, 131796-79-7
(+)-2-methylthiomethyl-6-methyl-5-carbomethoxy-3-carboethoxy-4-(3-nitrophenyl)-1,4-dihydropyridine

: 74-88-4
methyl iodide

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With sodium borohydrid In N,N-dimethyl-formamide

: methyl (S)-3-[(2-methoxy-methylpyrrolidin-1-yl)-imino]-butyrate

: 20485-44-3
2,3-dimethyl-2,3-diaminobutane

: 39562-16-8
ethyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
With n-butyllithium; ammonium chloride In tetrahydrofuran; methanol; hexane; dichloromethane

...Expand

: 105-45-3
acetoacetic acid methyl ester

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: piperidine; acetic acid / 30 °C / Neat (no solvent) 2: ethanol / 6 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: ammonia / ethanol / 4 h / 2 - 20 °C 2: acetic acid; N-ethyl-N,N-diisopropylamine / ethanol / Reflux View Scheme

: 99-61-6
3-nitro-benzaldehyde

: 105-45-3
acetoacetic acid methyl ester

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: alumina / neat (no solvent) / 120 °C / Microwave irradiation; Green chemistry 2: 0.15 h / 90 °C / Microwave irradiation View Scheme

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 89267-41-4
(+/-)-Oxidized Nitrendipine

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetone for 0.166667h; Ambient temperature;	100%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; iron(III) chloride hexahydrate; oxygen; sodium nitrite In acetic acid; acetonitrile at 20℃; for 0.75h;	97%
With lead(IV) acetate In dichloromethane; acetic acid at 20℃; for 1.25h;	96%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 74-88-4
methyl iodide

: 50698-12-9
N-methylnitrendipine

Conditions

Conditions	Yield
	95%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 98-80-6
phenylboronic acid

: 3-ethyl 5-methyl 2,6-dimethyl-4-(3-(phenylsulfonamido)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Conditions

Conditions	Yield
With potassium pyrosulfite; tetrabutyl-ammonium chloride; potassium carbonate In acetonitrile at 130℃; for 24h; Sealed tube;	61%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: N-nitroso-nitrendipine

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In water at 37℃; for 6h; pH=3 - 3.5;	44%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 106-95-6
allyl bromide

: 1-allyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

Conditions

Conditions	Yield
	22%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 106-96-7
propargyl bromide

: MRS 1845

Conditions

Conditions	Yield
	22%

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 75-03-6
ethyl iodide

: 1-ethyl-2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

Conditions

Conditions	Yield
	21%

: 100-44-7
benzyl chloride

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 1-benzyl-2,6-dimethyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-methyl ester 5-ethyl ester

Conditions

Conditions	Yield
	16%

: 288-32-4
1H-imidazole

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 123754-04-1
1,4-dihydro-2,6-bis(1H-imidazol-1-ylmethyl)-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid ethyl methyl diester

Conditions

Conditions	Yield
With phenyltrimethylammonium tribromide 1.) MeCN, below 10 deg C, 0.75 h, 2.) below 30 deg C, 2 h; Yield given. Multistep reaction;

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

A: 64603-72-1
SL 5721

B: 74936-72-4
5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

C: 64603-74-3
methyl 2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydro-furo<3,4-b>pyridine-3-carboxylate

D: 89288-25-5
ethyl-2-methyl-4-(3-nitrophenyl)-5-oxo-5,7-dihydrofuro<3,4-b>3-pyridinecarboxylate

E: 138135-46-3
(R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl) ester 5-methyl ester

F: 138135-45-2
(S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxy-tetrahydro-pyran-2-yl) ester 5-methyl ester

Conditions

Conditions	Yield
biotransformation in rat, dog, and mouse (in vivo and in vitro);

...Expand

: 39562-70-4
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid ethyl methyl ester

: 2,6-Dimethyl-4-(3-nitro-phenyl)-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester; compound with nitric acid

Conditions

Conditions	Yield
With nitric acid for 4h; Heating;

Nitrendipine Specification

The nitrendipine , with the CAS register number 39562-70-4, has other name as nitrendipine ; 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5 pyridinedicarboxylicacidethy ; baye5009 ; bayotensin ; baypress ; ethylmethyl1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxy ; lmethylester ; nidrel .

The physical properties of this chemcial are as followings: (1)ACD/LogP: 3.50 ; (2)ACD/LogD (pH 5.5): 3.5 ; (3)ACD/LogD (pH 7.4): 3.5 ; (4)ACD/BCF (pH 5.5): 267.27 ; (5)ACD/BCF (pH 7.4): 267.77 ; (6)ACD/KOC (pH 5.5): 1899.24 ; (7)ACD/KOC (pH 7.4): 1902.83 ; (8)#H bond acceptors: 8 ; (9)#H bond donors: 1 ; (10)#Freely Rotating Bonds: 7 ; (11)Polar Surface Area: 101.66 ; (12)Index of Refraction: 1.553 ; (13)Molar Refractivity: 92.53 cm³ ; (14)Molar Volume: 288.7 cm³ ; (15)Polarizability: 36.68× 10^-24 cm³ ; (16)Surface Tension: 45.3 dyne/cm ; (17)Density: 1.247 g/cm³ ; (18)Flash Point: 249.5 °C ; (19)Enthalpy of Vaporization: 75.51 kJ/mol ; (20)Boiling Point: 488.9 °C at 760 mmHg ; (21)Vapour Pressure: 1.04E-09 mmHg at 25°C.

This is a kind of yellow crystalline powder with no odour and no taste. When meets with light, it will to bad and it is soluble in acetone and chloroform but slightly soluble in methyl alcohol or ethanol and insoluble in water. As to its product categories, there are various, including Pharmaceutical;Intermediates & Fine Chemicals;Pharmaceuticals;Calcium channel;Ion Channels.

Being a kind of harmful chemical, it may cause damage to health and it is also harmful if by inhalation, in contact with skin or if swallowed. So while dealing with this chemical, you should be cautious. Wear suitable protective clothing and if you need more safety information, you could go to WGK Germany 1. As for its raw materials, there are including Ethyl acetoacetate, Methyl acetoacetate, 3-Nitrobenzaldehyde, Methyl 3-aminocrotonate.

As for its usage, it is the second generation CCB - calcium-channel blockers, to be as the ideal drugs to cure hypertension, as it has the function of depressurization and vasoconstriction. Besides, it is used for various types of hypertension, such as the primary and secondary light, medium pressure, and it is also be used to coronary heart disease, and congestive heart failure.

Additionally, you could convert the following data information into the molecular structure:
SMILES:O=C(OCC)\C1=C(\N/C(=C(/C(=O)OC)C1c2cccc([N+]([O-])=O)c2)C)C
InChI:InChI=1/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3
InChIKey:PVHUJELLJLJGLN-UHFFFAOYAU

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	> 2500ug/kg (2.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
dog	LD50	oral	> 100mg/kg (100mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
mouse	LD50	intraperitoneal	303mg/kg (303mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BLOOD: CHANGES IN SPLEEN	Oyo Yakuri. Pharmacometrics. Vol. 36, Pg. 121, 1988.
mouse	LD50	intravenous	34500ug/kg (34.5mg/kg)		Farmaco, Edizione Scientifica. Vol. 42, Pg. 697, 1987.
mouse	LD50	oral	2540mg/kg (2540mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: REGIDITY LUNGS, THORAX, OR RESPIRATION: CYANOSIS	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
mouse	LD50	subcutaneous	7613mg/kg (7613mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Oyo Yakuri. Pharmacometrics. Vol. 36, Pg. 121, 1988.
rabbit	LD50	intravenous	2500ug/kg (2.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.
rabbit	LD50	oral	2500mg/kg (2500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: REGIDITY	"Nitrendipine, Based on Presentations at International Workshop on Nitrendipine, 1st, New York, 1982," Scriabine, A., et al., eds., Baltimore, Urban & Schwarzenberg, 1984Vol. -, Pg. 25, 1984.

Product Name

Nitrendipine

Synthetic route

Nitrendipine Specification

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