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Substance Name: Bolazine [INN]
RN: 4267-81-6
UNII: 508ISH42Z9
InChIKey: BQDZMZRUXNFTQT-KSJDNICASA-N

Molecular Formula

  • C40-H64-N2-O2

Molecular Weight

  • 604.9576
 
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Names and Synonyms

Name of Substance

  • Bolazine [INN]

Synonyms

  • Bolazina
  • Bolazine
  • Bolazinum
  • UNII-508ISH42Z9

Systematic Name

  • 17beta-Hydroxy-2alpha-methyl-5alpha-androstan-3-one azine

Registry Numbers

CAS Registry Number

  • 4267-81-6

FDA UNII

  • 508ISH42Z9

System Generated Number

  • 0004267816

Structure Descriptors

InChI

1S/C40H64N2O2/c1-23-21-39(5)25(7-9-27-29-11-13-35(43)37(29,3)17-15-31(27)39)19-33(23)41-42-34-20-26-8-10-28-30-12-14-36(44)38(30,4)18-16-32(28)40(26,6)22-24(34)2/h23-32,35-36,43-44H,7-22H2,1-6H3/b41-33+,42-34+/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,35+,36+,37+,38+,39+,40+/m1/s1

InChIKey

BQDZMZRUXNFTQT-KSJDNICASA-N

Smiles

C\1(=N\N=C2/[C@@H](C[C@]3([C@H](C2)CC[C@H]2[C@@H]4CC[C@@H]([C@@]4(C)CC[C@H]32)O)C)C)[C@@H](C[C@]2([C@H](C1)CC[C@H]1[C@@H]3CC[C@@H]([C@@]3(C)CC[C@H]21)O)C)C