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Substance Name: ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate
RN: 94386-34-2
InChIKey: NHKJAIVPHGJKJE-OTSRDOKXSA-N

Molecular Formula

  • C23-H39-N-O.C2-H4-O2

Molecular Weight

  • 405.6187
 
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Names and Synonyms

Synonym

  • EINECS 305-255-4

Systematic Name

  • ((5alpha)-18,20(R)-Epoxypregnan-3beta-yl)dimethylammonium acetate

Registry Numbers

CAS Registry Number

  • 94386-34-2

System Generated Number

  • 0094386342

Molecular Formulas

Molecular Formula

  • C23-H39-N-O.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C23-H39-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H39NO.C2H4O2/c1-15-19-7-8-21-18-6-5-16-13-17(24(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-25-15;1-2(3)4/h15-21H,5-14H2,1-4H3;1H3,(H,3,4)/t15-,16+,17+,18?,19-,20?,21?,22+,23+;/m1./s1

InChIKey

NHKJAIVPHGJKJE-OTSRDOKXSA-N

Smiles

C[C@@H]1[C@H]2CCC3[C@@]2(CCC4C3CC[C@@H]5[C@@]4(CC[C@@H](C5)[NH+](C)C)C)CO1.CC(=O)[O-]