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Substance Name: Piperidinium, 1-(2-beta-hydroxy-17-oxo-5-alpha-androstan-3-alpha-yl)-1-methyl-, bromide, acetate
RN: 17224-48-5
InChIKey: MRIIHRKJSHWLCA-ZULPSGRVSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-N-O3

Molecular Weight

  • 510.5526
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17224-48-5

System Generated Number

  • 0017224485

Structure Descriptors

InChI

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

InChIKey

MRIIHRKJSHWLCA-ZULPSGRVSA-M

Smiles

CC(=O)O[C@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C[C@@H]1[N+]5(CCCCC5)C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82mg/kg (82mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.