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Substance Name: Ammonium, (3-alpha-hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethyl-, bromide
RN: 17224-50-9
InChIKey: MCURGLZHROOEKB-YLRNBPASSA-M

Molecular Formula

  • C25-H44-N-O2.Br

Molecular Weight

  • 470.532
 
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Names and Synonyms

Synonyms

  • (3-alpha-Hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethylammonium bromide
  • 2-beta-Dimethylamino-3-alpha-hydroxy-16-alpha-methyl-5-alpha-pregnan-20-one methobromide

Systematic Name

  • Ammonium, (3-alpha-hydroxy-16-alpha-methyl-20-oxo-5-alpha-pregnan-2-beta-yl)trimethyl-, bromide

Registry Numbers

CAS Registry Number

  • 17224-50-9

System Generated Number

  • 0017224509

Molecular Formulas

Molecular Formula

  • C25-H44-N-O2.Br

Molecular Formula Fragments

  • Br
  • C25-H44-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C25H44NO2.BrH/c1-15-12-20-18-9-8-17-13-22(28)21(26(5,6)7)14-25(17,4)19(18)10-11-24(20,3)23(15)16(2)27;/h15,17-23,28H,8-14H2,1-7H3;1H/q+1;/p-1/t15-,17+,18-,19+,20+,21+,22+,23-,24+,25+;/m1./s1

InChIKey

MCURGLZHROOEKB-YLRNBPASSA-M

Smiles

[BrH-].C[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)C)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@@]1(C[C@@H]([C@H](C2)O)[N+](C)(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 103mg/kg (103mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.