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Substance Name: Piperidinium, 1-(3-alpha-hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methyl-, bromide
RN: 18303-52-1
InChIKey: QLIPMFYHYJPCDH-SKIXJUDISA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H46-N-O2.Br

Molecular Weight

  • 496.569
 
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Names and Synonyms

Synonyms

  • 1-(3-alpha-Hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methylpiperidinium bromide
  • 3-alpha-Hydroxy-2-beta-piperidino-5-alpha-pregnan-20-one methobromide

Systematic Name

  • Piperidinium, 1-(3-alpha-hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 18303-52-1

System Generated Number

  • 0018303521

Molecular Formulas

Molecular Formula

  • C27-H46-N-O2.Br

Molecular Formula Fragments

  • Br
  • C27-H46-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C27H46NO2.BrH/c1-18(29)21-10-11-22-20-9-8-19-16-25(30)24(28(4)14-6-5-7-15-28)17-27(19,3)23(20)12-13-26(21,22)2;/h19-25,30H,5-17H2,1-4H3;1H/q+1;/p-1/t19-,20?,21+,22?,23?,24-,25-,26+,27-;/m0./s1

InChIKey

QLIPMFYHYJPCDH-SKIXJUDISA-M

Smiles

[N+]1(CCCCC1)(C)[C@@H]1[C@H](C[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C1)C)O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.