Product Name

  • Name

    Benidipine hydrochloride

  • EINECS 663-500-3
  • CAS No. 91599-74-5
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 199-201oC
  • Formula C28H32ClN3O6
  • Boiling Point 625.2 °C at 760 mmHg
  • Molecular Weight 542.032
  • Flash Point 331.9 °C
  • Transport Information
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 91599-74-5 (Benidipine hydrochloride)
  • Hazard Symbols T
  • Synonyms 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl(3R)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4R)-rel- (9CI);Coniel;KW 3049;
  • PSA 124.28000
  • LogP 3.74270

Benidipine hydrochloride Chemical Properties

Molecular Formula: C28H32ClN3O6
Molar mass: 542.03 g/mol
Flash Point: 344.4 °C
Boiling Point: 645.9 °C at 760 mmHg
Vapour Pressure: 6.32E-17 mmHg at 25°C
Product categories of Benidipine hydrochloride (91599-74-5): Antihypertensive;Pharmaceuticals;Intermediates & Fine Chemicals
Structure of Benidipine hydrochloride (91599-74-5):

H-Bond Donor: 2
H-Bond Acceptor: 8
Systematic Name: O3-[(3R)-1-Benzyl-3-piperidyl] O5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride 
SMILES: Cl.[O-][N+](=O)c1cccc(c1)[C@@H]4C(/C(=O)OC)=C(\N\C(=C4\C(=O)O[C@@H]3CCCN(Cc2ccccc2)C3)C)C 
InChI: InChI=1/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1 
InChIKey: KILKDKRQBYMKQX-MIPPOABVBL 
Std. InChI: InChI=1S/C28H31N3O6.ClH/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20;/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3;1H/t23-,26-;/m1./s1 
Std. InChIKey: KILKDKRQBYMKQX-MIPPOABVSA-N

Benidipine hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 29300ug/kg (29.3mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
GASTROINTESTINAL: NAUSEA OR VOMITING		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1811, 1990.
mouse LD50 intraperitoneal 21500ug/kg (21.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
LUNGS, THORAX, OR RESPIRATION: YSPNEA
GASTROINTESTINAL: OTHER CHANGES		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
mouse LD50 intravenous 2500ug/kg (2.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
GASTROINTESTINAL: OTHER CHANGES
LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
mouse LD50 oral 322mg/kg (322mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LIVER: OTHER CHANGES		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
mouse LD50 subcutaneous 33500ug/kg (33.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
LIVER: OTHER CHANGES
LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
rat LD50 intraperitoneal 15100ug/kg (15.1mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LIVER: MULTIPLE EFFECTS		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
rat LD50 intravenous 4400ug/kg (4.4mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LIVER: MULTIPLE EFFECTS		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
rat LD50 oral 87600ug/kg (87.6mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LIVER: MULTIPLE EFFECTS		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.
rat LD50 subcutaneous 276mg/kg (276mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
LIVER: MULTIPLE EFFECTS		 Kiso to Rinsho. Clinical Report. Vol. 24, Pg. 1045, 1990.

Benidipine hydrochloride Safety Profile

A poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits toxic vapors of NOx and HCl.

Benidipine hydrochloride Specification

 Benidipine hydrochloride (91599-74-5) also can be called Coniel ; Coniel R ; (+-)-Benidipine hydrochloride ; (-)-alpha-Benidipine hydrochloride ; Benidipine hydrochloride (JP15) .

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View