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Substance Name: (S)-(+)-Watanidipine hydrochloride
RN: 189624-85-9
InChIKey: MVMIPBPFTZGTBS-ZCLNGFLVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H42-N4-O6.2Cl-H

Molecular Weight

  • 759.7266
 
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Names and Synonyms

Results Name

  • (S)-(+)-Watanidipine hydrochloride

Synonyms

  • (+)-AE 0047
  • (-)-Nigaldipine hydrochloride
  • (R)-Nigaldipine hydrochloride
  • (S)-(+)-Watanidipine hydrochloride
  • (S)-AE0047
  • B 8509-035
  • B 859-35
  • BY 935
  • Dexniguldipine hydrochloride
  • Watanidipine hydrochloride (S)-enantiomer

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, dihydrochloride, (S)-(+)-

Registry Numbers

CAS Registry Number

  • 189624-85-9

System Generated Number

  • 0189624859

Molecular Formulas

Molecular Formula

  • C41-H42-N4-O6.2Cl-H

Molecular Formula Fragments

  • C41-H42-N4-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C41H42N4O6.2ClH/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32;;/h4-20,27,38-39,42H,21-26H2,1-3H3;2*1H/t38-;;/m0../s1

InChIKey

MVMIPBPFTZGTBS-ZCLNGFLVSA-N

Smiles

CC1=C([C@@H](C(=C(N1)C)C(=O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccc(c6)[N+](=O)[O-])C(=O)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 12mg/kg (12mg/kg) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 25(Suppl,
mouse LD50 intravenous 17mg/kg (17mg/kg)   Cancer Chemotherapy and Pharmacology. Vol. 36, Pg. 160, 1995.
mouse LD50 oral 749mg/kg (749mg/kg) GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 25(Suppl,
rat LD50 oral 196mg/kg (196mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 25(Suppl,