Benidipine hydrochloride (91599-74-5),Benidipine hydrochloride (91599-74-5) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester, hydrochloride (1:1), (4R)-rel-
Superlist Name:
Benidipine hydrochloride
CAS No.:
91599-74-5
Molecular Structure:
Formula:
C₂₈H₃₂ClN₃O₆
Molecular Weight:
542.03
Deleted CAS:
105993-05-3
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;
Boiling Point:
625.2 °C at 760 mmHg
Flash Point:
331.9 °C

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Chemistry

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

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.

Safety Profile

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

Specification

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