Rimonabant supplier | CasNO.168273-06-1

Name
Rimonabant
EINECS
CAS No. 168273-06-1
Article Data35
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point 230-240oC
Formula C₂₂H₂₁Cl₃N₄O
Boiling Point 627.6oC at 760 mmHg
Molecular Weight 463.794
Flash Point 333.3oC
Transport Information
Appearance White or almost white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2,4-Dichlorophenyl)-5-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide;5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylicacid N-(piperidin-1-yl)amide;A 281;Acomplia;N-Piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide;SR 141716;
PSA 50.16000
LogP 6.26740

Synthetic route

: 158681-13-1
rimonabant hydrochloride

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With methanol; potassium hydroxide; water at 0 - 5℃; for 1h;	93%
With sodium hydroxide In methanol; water pH=8.5;
With sodium hydroxide In methanol; water at 28 - 30℃; for 0.666667h; pH=11;

: 2213-43-6
1-Aminopiperidine

: 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With trimethylaluminum In tetrahydrofuran; toluene at 125℃; for 0.0333333h;	88%
magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux;	83%
magnesium bromide In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux;	81%

: 168272-78-4
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid methyl ester

: 2213-43-6
1-Aminopiperidine

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
magnesium chloride In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux;	82%
magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux;	80%
magnesium bromide In tetrahydrofuran for 2h; Product distribution / selectivity; Heating / reflux;	79%

: 2213-43-6
1-Aminopiperidine

: 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 12h;	79%
With triethylamine In dichloromethane at 20℃; for 1.5h; Substitution;	66%
With triethylamine Yield given;

: 1030616-35-3
phenyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate

: 2213-43-6
1-Aminopiperidine

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
magnesium chloride In acetonitrile for 2h; Product distribution / selectivity; Heating / reflux;	77%
magnesium chloride In acetonitrile at 80℃; for 2 - 4h; Product distribution / selectivity;

: 63234-70-8
N-aminopiperidine hydrochloride

: 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With triethylamine; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux;	77%
Stage #1: N-aminopiperidine hydrochloride With potassium tert-butylate In acetonitrile at 20℃; for 0.5h; Stage #2: ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux;	61%

: 1030616-37-5
N-aminopiperidine hydrogen sulphate

: 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With triethylamine; magnesium chloride In acetonitrile for 4h; Product distribution / selectivity; Heating / reflux;	77%

: 2213-43-6
1-Aminopiperidine

: 162758-35-2
rimonabant acid

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Stage #1: rimonabant acid With benzotriazol-1-ol In dichloromethane for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 25℃; Stage #3: 1-Aminopiperidine Further stages;	72%
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 72h;	68%
Stage #1: rimonabant acid With thionyl chloride In methyl cyclohexane at 83℃; for 3h; Heating / reflux; Stage #2: With triethylamine In tetrahydrofuran; methyl cyclohexane at 12 - 20℃; for 0.25h; Stage #3: 1-Aminopiperidine With triethylamine In tetrahydrofuran; methyl cyclohexane at 12 - 20℃; Product distribution / selectivity;
With 1,1'-carbonyldiimidazole In tetrahydrofuran at 65 - 70℃; for 2.33333h; Product distribution / selectivity;
With boric acid In toluene at 29 - 112℃; for 12.83h; Product distribution / selectivity;

: 1040405-33-1
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid(2,6-benzotriazolyl-piperidin-1-yl)amide

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran at 20℃;	46%

: 2213-43-6
1-Aminopiperidine

: 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride

A: 168273-06-1
rimonabant

B: N-(piperidin-1-yl)-3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 2h;	A 11.5 g B 645 mg

...Expand

: 952734-85-9
4-(4-chlorophenyl)-3-methyl-2,4-dioxo-N-piperidin-1-yl-butyramide

: 5446-18-4
2,4-dichlorophenyl hydrazine hydrochloride

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
In ethanol for 8h; Product distribution / selectivity;

: 952734-87-1
5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid benzotriazol-1-yl ester

: 2213-43-6
1-Aminopiperidine

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 30℃; for 0.5h; Product distribution / selectivity;

: 169544-43-8
N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazole carboxamide fumarate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With sodium hydroxide; water; polyoxyethylene sorbitan monostearate at 30 - 40℃; for 4h; pH=9; Polyoxyethylene; Product distribution / selectivity;
With sodium hydroxide; polyoxyethylene sorbitan monooleate In water at 25 - 40℃; for 4h; pH=9; Product distribution / selectivity;

: 169544-44-9
N-piperidino-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-pyrazole carboxamide hydrogensulphate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With ammonia; water at 25 - 30℃; for 4h; pH=9; Product distribution / selectivity;
With ammonia; water at 25 - 30℃; for 4h; pH=9; Product distribution / selectivity;

: 6285-05-8
4'-chloropropiophenone

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 65 percent / LDA; potassium t-butoxide / diethyl ether; tetrahydrofuran; heptane / 2.5 h / 20 °C 2.1: HCl / H2O; CH2Cl2 3.1: ethanol / 2.5 h / Heating 3.2: 89 percent / NaOH / ethanol / 2 h / Heating 4.1: 94 percent / SOCl2 / toluene / 6 h / Heating 5.1: 11.5 g / triethylamine / CH2Cl2 / 2 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: lithium hexamethyldisilazane / methyl cyclohexane / 3 h / 20 °C 1.2: 16 h 1.3: Cooling with ice; Reflux 2.1: potassium hydroxide / ethanol / 12 h / 50 °C 3.1: thionyl chloride / toluene / 2.5 h / 110 °C 4.1: N-ethyl-N,N-diisopropylamine / chloroform / 4 h / 0 - 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: lithium hexamethyldisilazane / methyl cyclohexane / 2.5 h / 15 - 25 °C / Inert atmosphere 1.2: Inert atmosphere 2.1: sulfuric acid / ethanol; water / 14 h / 79 °C / Inert atmosphere 3.1: N,N-dimethyl-formamide / toluene / 0 °C / Inert atmosphere 3.2: 4 h / 100 °C / Inert atmosphere 4.1: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere View Scheme

: 169544-41-6
4-(4-chlorophenyl)-3-methyl-2,4-dioxobutyric acid ethyl ester

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: ethanol / 2.5 h / Heating 1.2: 89 percent / NaOH / ethanol / 2 h / Heating 2.1: 94 percent / SOCl2 / toluene / 6 h / Heating 3.1: 11.5 g / triethylamine / CH2Cl2 / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 2.1: propionic acid / 16 h / Heating / reflux 2.2: 20 h / 140 - 145 °C View Scheme
Multi-step reaction with 2 steps 1: triethylamine / 3 h 2: ethanol / 8 h View Scheme

: 162758-35-2
rimonabant acid

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94 percent / SOCl2 / toluene / 6 h / Heating 2: 11.5 g / triethylamine / CH2Cl2 / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: DMF / CH2Cl2 / 3 h / 20 °C 2: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 2.5 h / 110 °C 2: N-ethyl-N,N-diisopropylamine / chloroform / 4 h / 0 - 20 °C View Scheme

: (Z)-4-(4-chloro-phenyl)-2-hydroxy-3-methyl-4-oxo-but-2-enoic acid ethyl ester lithium salt

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: HCl / H2O; CH2Cl2 2.1: ethanol / 2.5 h / Heating 2.2: 89 percent / NaOH / ethanol / 2 h / Heating 3.1: 94 percent / SOCl2 / toluene / 6 h / Heating 4.1: 11.5 g / triethylamine / CH2Cl2 / 2 h / 20 °C View Scheme

: 6285-05-8
4'-chloropropiophenone

lithium-bromoacetate: lithium-bromoacetate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 95 percent / bromine / acetic acid / 1.5 h / 5 - 20 °C 2: 42 percent / NaH / tetrahydrofuran / 1.5 h / Heating 3: sodium / ethanol / 2.5 h / 0 °C 4: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 5: DMF / CH2Cl2 / 3 h / 20 °C 6: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme

: 877-37-2
2-bromo-1-(4-chlorophenyl)-1-propanone

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 42 percent / NaH / tetrahydrofuran / 1.5 h / Heating 2: sodium / ethanol / 2.5 h / 0 °C 3: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 4: DMF / CH2Cl2 / 3 h / 20 °C 5: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme

: 554-00-7
2,4-Dichloroaniline

2-chloro-trans-cinnamoyl chloride: 2-chloro-trans-cinnamoyl chloride

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 24 percent HCl; NaNO2 / H2O / 0 - 5 °C 2: sodium / ethanol / 2.5 h / 0 °C 3: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 4: DMF / CH2Cl2 / 3 h / 20 °C 5: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme

: 13617-98-6
2,4-dichlorophenyldiazonium chloride

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium / ethanol / 2.5 h / 0 °C 2: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 3: DMF / CH2Cl2 / 3 h / 20 °C 4: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme

: 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 2: DMF / CH2Cl2 / 3 h / 20 °C 3: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium hydroxide / ethanol / 12 h / 50 °C 2: thionyl chloride / toluene / 2.5 h / 110 °C 3: N-ethyl-N,N-diisopropylamine / chloroform / 4 h / 0 - 20 °C View Scheme
Multi-step reaction with 3 steps 1: potassium hydroxide; water / methanol / 3 h / Heating / reflux 2: thionyl chloride / toluene / 3 h / Heating / reflux 3: triethylamine / dichloromethane / 3 h / 0 - 20 °C View Scheme

: 162758-34-1
ethyl [2-acetyl-4-(4-chlorophenyl)-3-methyl-4-oxo]butyrate

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sodium / ethanol / 2.5 h / 0 °C 2: 45 percent / NaOH / ethanol / 1.5 h / Alkaline hydrolysis 3: DMF / CH2Cl2 / 3 h / 20 °C 4: 66 percent / triethylamine / CH2Cl2 / 1.5 h / 20 °C View Scheme

: 111-24-0
1,5-dibromo-pentane

: 443141-90-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbohydrazide

: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile for 45h; Heating / reflux;

: 2213-43-6
1-Aminopiperidine

: 168273-05-0
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl chloride

A: 1028183-02-9
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbonyl]piperidin-1-yl-amide

B: 168273-06-1
rimonabant

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 10 - 30℃; Product distribution / selectivity;

...Expand

: 2213-43-6
1-Aminopiperidine

: 158941-22-1
ethyl 1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

A: 162758-35-2
rimonabant acid

B: 168273-06-1
rimonabant

Conditions

Conditions	Yield
magnesium chloride In tetrahydrofuran at 80℃; for 2 - 4h; Product distribution / selectivity;
magnesium chloride In acetonitrile at 80℃; for 2 - 4h; Product distribution / selectivity;
magnesium chloride at 80℃; for 2 - 4h; Product distribution / selectivity;

...Expand

: 168272-78-4
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid methyl ester

: 2213-43-6
1-Aminopiperidine

A: 162758-35-2
rimonabant acid

B: 168273-06-1
rimonabant

Conditions

Conditions	Yield
magnesium chloride In acetonitrile at 80℃; for 2 - 4h; Product distribution / selectivity;

...Expand

: 1030616-35-3
phenyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylate

: 2213-43-6
1-Aminopiperidine

A: 162758-35-2
rimonabant acid

B: 168273-06-1
rimonabant

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 2 - 4h; Product distribution / selectivity;

...Expand

: 71-23-8
propan-1-ol

: 168273-06-1
rimonabant

: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)pyrazole-3-carboxamide n-propanol solvate

Conditions

Conditions	Yield
at 4 - 20℃; Heating / reflux;	100%
at 5 - 50℃; for 5h;

: 63234-70-8
N-aminopiperidine hydrochloride

: 162758-35-2
rimonabant acid

: 168273-06-1
rimonabant

: 158681-13-1
rimonabant hydrochloride

Conditions

Conditions	Yield
Stage #1: rimonabant acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 6h; Stage #2: N-aminopiperidine hydrochloride With triethylamine In tetrahydrofuran at 60℃; for 1.5h; Stage #3: rimonabant With hydrogenchloride	92.7%

...Expand

: 109-64-8
1,3-dibromo-propane

: 168273-06-1
rimonabant

: bromopropyl-[N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide]

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 20℃; for 16h; Reflux; Inert atmosphere;	70%

: 105-36-2
ethyl bromoacetate

: 168273-06-1
rimonabant

: 1'-ethylacetyl-[N-(piperidinyl-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide]

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 48h; Reflux; Inert atmosphere;	55%

: 168273-06-1
rimonabant

: 6,9-dichloro-3-methyl-pyrazolo[1,5-f]phenanthridine-2-carboxylic acid piperidin-1-ylamide

Conditions

Conditions	Yield
In acetonitrile for 2.5h; Irradiation;	42%

: 168273-06-1
rimonabant

A: 170937-36-7
N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichloro-6-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide

B: N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichloro-3-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
With n-butyllithium; 1,10-Phenanthroline; 1-chloro-2-iodoethane In diethyl ether at -78 - 20℃;	A 17% B 14%

: 168273-06-1
rimonabant

: 170937-36-7
N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichloro-6-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
With n-butyllithium; 1-chloro-2-iodoethane In diethyl ether at -15℃;

: 168273-06-1
rimonabant

: 945634-91-3
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)pyrazole-3-carboxamide hydrate

Conditions

Conditions	Yield
Stage #1: rimonabant In dichloromethane at 25 - 30℃; for 0.166667h; Stage #2: With water at 25 - 30℃; for 1h; Product distribution / selectivity;
With water In acetone at 25 - 50℃; for 6h; Product distribution / selectivity;
With water In methanol at 25 - 55℃; for 2h; Product distribution / selectivity;

: 168273-06-1
rimonabant

: 71-36-3
butan-1-ol

: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)pyrazole-3-carboxamide n-butanol solvate

Conditions

Conditions	Yield
at 5 - 50℃; for 5h;

: 168273-06-1
rimonabant

: N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-([6-3H]-2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 17 percent / n-butyllithium; 1-chloro-2-iodoethane; 1,10-phenanthroline / diethyl ether / -78 - 20 °C 2: tritium; Et3N / 10 percent Pd-C / ethanol / 3.5 h View Scheme

Rimonabant Specification

The 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- is an organic compound with the formula C₂₂H₂₁Cl₃N₄O. The IUPAC name of this chemical is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide. With the CAS registry number 168273-06-1, it is also named as Rimonabant. The product's category is Weight Loss.

Physical properties about 1H-Pyrazole-3-carboxamide,5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl- are: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27061.6; (6)ACD/BCF (pH 7.4): 27198.54; (7)ACD/KOC (pH 5.5): 51715.72; (8)ACD/KOC (pH 7.4): 51977.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.37 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 122.23 cm³; (15)Molar Volume: 327.8 cm³; (16)Polarizability: 48.45×10^-24cm³; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.41 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN1CCCCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(Cl)cc3)c4C
(2)InChI: InChI=1/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
(3)InChIKey: JZCPYUJPEARBJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
(5)Std. InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

Product Name

Rimonabant

Synthetic route

Rimonabant Specification

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