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Substance Name: Piperidinium, 1-(3-alpha-hydroxy-17-oxo-5-alpha-androstan-2-beta-yl)-1-methyl-, bromide, acetate
RN: 14668-13-4
InChIKey: SUEWSNSMISKYCH-IRLPSLACSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-N-O3.Br

Molecular Weight

  • 510.553
 
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Names and Synonyms

Synonyms

  • 1-(3-alpha-Hydroxy-17-oxo-5-alpha-androstan-2-beta-yl)-1-methylpiperidinium bromide acetate
  • 3-alpha-Acetoxy-2-beta-piperidino-5-alpha-androstan-17-one methobromide

Systematic Name

  • Piperidinium, 1-(3-alpha-hydroxy-17-oxo-5-alpha-androstan-2-beta-yl)-1-methyl-, bromide, acetate

Registry Numbers

CAS Registry Number

  • 14668-13-4

System Generated Number

  • 0014668134

Molecular Formulas

Molecular Formula

  • C27-H44-N-O3.Br

Molecular Formula Fragments

  • Br
  • C27-H44-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C27H44NO3.BrH/c1-18(29)31-24-16-19-8-9-20-21-10-11-25(30)26(21,2)13-12-22(20)27(19,3)17-23(24)28(4)14-6-5-7-15-28;/h19-24H,5-17H2,1-4H3;1H/q+1;/p-1/t19-,20?,21?,22?,23-,24-,26-,27-;/m0./s1

InChIKey

SUEWSNSMISKYCH-IRLPSLACSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 64mg/kg (64mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.