Benidipine hydrochloride

Basic Information

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CAS Number

91599-74-5

Molecular Formula

C28H32ClN3O6

Molecular Weight

542.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

200°C

Boiling Point

645.9ºC at 760 mmHg

Flash Point

344.4ºC

Solubility

DMSO: ≥20mg/mL

SMILES

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CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl

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

InChIKey

KILKDKRQBYMKQX-MIPPOABVSA-N

LogP

3.74270

pKa

7.34(at 25℃)

Complexity

933

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in male mice: 218 mg/kg (Muto, 1988)

Synonyms & References

English

Benidipine hydrochloride
Benidipine HCl
rac Benidipine Hydrochloride
1-(BENZYLMETHYL)-3-PIPERIDINYL 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOLATE
5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate,hydrochloride
KW-3049
(+-)-Benidipine hydrochloride
3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester,monohydrochloride,(4R)-rel
5-O-methyl 3-O-[1-(phenylmethyl)-piperidin-3-yl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
KW 3049
(4R)-rel-3,5-Pyridinedicarboxylic acid
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-
3-methyl 5-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester
hydrochloride (1:1)
3-[(3RS)-1-Benzylpiperidin-3-yl] 5-Methyl (4RS)-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Hydrochloride
KW‐3049
(R,R)-(+/-)-2,6-Dimethyl-4-(3-nitrophenyl)-1,4-Dihydro-3,5-pyridine-dicarboxylic acid methyl-1-benzyl-3-piperidyl-ester hydrochloride
Benidipine (hydrochloride)
C28H31N3O6.HCl
Benidipine (+-)-alpha-form hydrochloride
(-)-alpha-Benidipine hydrochloride
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (R*,R*)-(+-)-
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4R)-rel- (9CI)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (R*,R*)-(±)- (ZCI)
(±)-Benidipine hydrochloride
Coniel
rel-3-((R)-1-benzylpiperidin-3-yl) 5-methyl (R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
BENIDIPINE HCl
Benidipine hydrochloride [JAN]
CS-5152

MDL Number

MFCD00906929

Customs Code

2942000000

FAQ

What is Benidipine hydrochloride (CAS: 91599-74-5)?

Benidipine hydrochloride (CAS: 91599-74-5) is a calcium channel blocker used in pharmaceutical applications. It has the chemical formula C19H23ClN2O4 and is typically a white to off-white crystalline powder. It is soluble in water and has a molecular weight of 378.83 g/mol. This compound is known for its pharmacological activity in managing cardiovascular conditions.

What are the main uses of Benidipine hydrochloride (CAS: 91599-74-5)?

Benidipine hydrochloride (CAS: 91599-74-5) is primarily used in the treatment of hypertension and other cardiovascular diseases. It works by relaxing blood vessels, thereby reducing blood pressure. Additionally, it may be used in research for studying calcium channel modulation and in pharmaceutical development for drug formulations.

Is Benidipine hydrochloride (CAS: 91599-74-5) safe?

Benidipine hydrochloride (CAS: 91599-74-5) is considered safe when used as directed in medical contexts. However, it should be handled with care to avoid exposure to skin or eyes. Safety standards require proper storage and use in controlled environments. Always follow guidelines from regulatory bodies and consult healthcare professionals for usage safety.

How should Benidipine hydrochloride (CAS: 91599-74-5) be stored?

Benidipine hydrochloride (CAS: 91599-74-5) should be stored in a cool, dry place away from light. It is typically kept in a tightly sealed container at a temperature below 25°C and humidity levels below 60%. Proper storage ensures stability and maintains the compound's potency over time.