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Substance Name: Vobasan-17-oic acid, 3-oxo-, methyl ester, monohydrochloride
RN: 50720-30-4
InChIKey: QTNJWRQWYXKRPM-XHNKNCTESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O3.Cl-H

Molecular Weight

  • 388.8925
 
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Names and Synonyms

Synonyms

  • 3-Oxobasan-17-oic acid methyl ester hydrochloride
  • Vobasine chlorhydrate
  • Vobasine chlorhydrate [French]
  • Vobasine hydrochloride

Systematic Name

  • Vobasan-17-oic acid, 3-oxo-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 50720-30-4

Related Registry Number

  • 2134-83-0 (Parent)

System Generated Number

  • 0050720304

Molecular Formulas

Molecular Formula

  • C21-H24-N2-O3.Cl-H

Molecular Formula Fragments

  • C21-H24-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N2O3.ClH/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3;/h4-8,14,17,19,22H,9-11H2,1-3H3;1H/b12-4-;

InChIKey

QTNJWRQWYXKRPM-XHNKNCTESA-N

Smiles

C/C=C\1/CN(C2Cc3c4ccccc4[nH]c3C(=O)CC1C2C(=O)OC)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 10mg/kg (10mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Journal of Pharmaceutical Sciences. Vol. 52, Pg. 350, 1963.
mouse LD50 intravenous 34500ug/kg (34.5mg/kg)   Annales Pharmaceutiques Francaises. Vol. 36, Pg. 519, 1978.