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Substance Name: (-)-alpha-Benidipine hydrochloride
RN: 119065-62-2
InChIKey: KILKDKRQBYMKQX-BGOLOXMSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H31-N3-O6.x-Cl-H

Molecular Weight

  • 542.0288
 
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Names and Synonyms

Results Name

  • (-)-alpha-Benidipine hydrochloride

Synonym

  • (-)-alpha-Benidipine hydrochloride

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 119065-62-2

System Generated Number

  • 0119065622

Molecular Formulas

Molecular Formula

  • C28-H31-N3-O6.x-Cl-H

Molecular Formula Fragments

  • C28-H31-N3-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

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-BGOLOXMSSA-N

Smiles

C1(=C(NC(=C(C1c1cc([N+](=O)[O-])ccc1)C(=O)OC)C)C)C(=O)O[C@H]1CN(Cc2ccccc2)CCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 918mg/kg (918mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 38, Pg. 1662, 1988.