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Substance Name: Org 9943
RN: 119302-86-2
InChIKey: KJLODZNGZVUFDC-DSBFZBMTSA-M

Molecular Formula

  • C30-H51-N2-O3.Br

Molecular Weight

  • 567.6479
 
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Names and Synonyms

Name of Substance

  • Org 9943

Synonyms

  • 1-((3,17-Dihydroxy)-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium
  • Org-9943

Systematic Name

  • Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-dihydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, bromide

Registry Numbers

CAS Registry Number

  • 119302-86-2

System Generated Number

  • 0119302862

Molecular Formulas

Molecular Formula

  • C30-H51-N2-O3.Br

Molecular Formula Fragments

  • Br
  • C30-H51-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C30H51N2O3.BrH/c1-4-13-32(14-5-6-15-32)26-19-24-22-8-7-21-18-27(33)25(31-11-16-35-17-12-31)20-30(21,3)23(22)9-10-29(24,2)28(26)34;/h4,21-28,33-34H,1,5-20H2,2-3H3;1H/q+1;/p-1/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-;/m0./s1

InChIKey

KJLODZNGZVUFDC-DSBFZBMTSA-M

Smiles

[N+]1(CCCC1)([C@@H]1[C@@H]([C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H]([C@H](C4)N3CCOCC3)O)C)CC2)C1)C)O)CC=C.[Br-]