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Substance Name: 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha-dimethoxy-18-beta-oxo-, methyl ester, oxime, hydrochloride
RN: 73840-31-0
InChIKey: RFLCPHXGEIRVRA-IWIHAAHXSA-N

Molecular Formula

  • C23-H30-N3-O5.Cl-H

Molecular Weight

  • 463.959
 
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Names and Synonyms

Synonym

  • Methyl ketoreserpate oxime hydrochloride

Systematic Name

  • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha-dimethoxy-18-beta-oxo-, methyl ester, oxime, hydrochloride

Registry Numbers

CAS Registry Number

  • 73840-31-0

System Generated Number

  • 0073840310

Molecular Formulas

Molecular Formula

  • C23-H30-N3-O5.Cl-H

Molecular Formula Fragments

  • C23-H30-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O5.ClH/c1-29-13-4-5-14-15-6-7-26-11-12-8-18(25-28)22(30-2)20(23(27)31-3)16(12)10-19(26)21(15)24-17(14)9-13;/h4-5,9,12,16,19-20,22,24,28H,6-8,10-11H2,1-3H3;1H/b25-18-;/t12-,16+,19-,20+,22+;/m1./s1

InChIKey

RFLCPHXGEIRVRA-IWIHAAHXSA-N

Smiles

COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C/C(=N/O)/[C@@H]([C@H]5C(=O)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01432,