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Substance Name: Pyrrolidinium, 1-(3-alpha-hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methyl-, bromide, acetate
RN: 17224-53-2
InChIKey: IJUGNYDYCUYINM-AXHVTLAGSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H46-N-O3.Br

Molecular Weight

  • 524.579
 
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Names and Synonyms

Synonyms

  • 1-(3-alpha-Hydroxy-20-oxo-5-alpha-pregnan-2-beta-yl)-1-methylpyrrolidinium bromide acetate
  • 3-alpha-Acetoxy-2-beta-pyrrolidin-1'-yl-5-alpha-pregnan-20-one methobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17224-53-2

System Generated Number

  • 0017224532

Molecular Formulas

Molecular Formula

  • C28-H46-N-O3.Br

Molecular Formula Fragments

  • Br
  • C28-H46-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C28H46NO3.BrH/c1-18(30)22-10-11-23-21-9-8-20-16-26(32-19(2)31)25(29(5)14-6-7-15-29)17-28(20,4)24(21)12-13-27(22,23)3;/h20-26H,6-17H2,1-5H3;1H/q+1;/p-1/t20-,21-,22+,23-,24-,25-,26-,27+,28-;/m0./s1

InChIKey

IJUGNYDYCUYINM-AXHVTLAGSA-M

Smiles

[BrH-].C(C)(=O)O[C@@H]1[C@H](C[C@@]2([C@H]3CC[C@@]4([C@@H](C(C)=O)CC[C@@H]4[C@@H]3CC[C@@H]2C1)C)C)[N+]1(CCCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 60mg/kg (60mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.