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Substance Name: Sebacic acid, bis((17beta-hydroxy-17-methylandrosta-1,4-dien-3-ylidene)hydrazide)
RN: 15437-53-3
InChIKey: ISUOPUUQRIMNNP-KYJQHUSJSA-N

Molecular Formula

  • C50-H74-N4-O4

Molecular Weight

  • 795.1586
 
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Names and Synonyms

Synonym

  • Androsta-1,4-dien-3-one, 17beta-hydroxy-17-methyl-, sebacoyldihydrazone

Systematic Name

  • Sebacic acid, bis((17beta-hydroxy-17-methylandrosta-1,4-dien-3-ylidene)hydrazide)

Registry Numbers

CAS Registry Number

  • 15437-53-3

System Generated Number

  • 0015437533

Structure Descriptors

InChI

1S/C50H74N4O4/c1-45-25-19-35(31-33(45)15-17-37-39(45)21-27-47(3)41(37)23-29-49(47,5)57)51-53-43(55)13-11-9-7-8-10-12-14-44(56)54-52-36-20-26-46(2)34(32-36)16-18-38-40(46)22-28-48(4)42(38)24-30-50(48,6)58/h19-20,25-26,31-32,37-42,57-58H,7-18,21-24,27-30H2,1-6H3,(H,53,55)(H,54,56)/b51-35-,52-36-/t37-,38-,39+,40+,41+,42+,45+,46+,47+,48+,49+,50+/m1/s1

InChIKey

ISUOPUUQRIMNNP-KYJQHUSJSA-N

Smiles

C(=O)(CCCCCCCCC(=O)N/N=C1\C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](CC3)([C@](CC4)(O)C)C)CC2)(C)C=C1)N/N=C1\C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](CC3)([C@](CC4)(O)C)C)CC2)(C)C=C1