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Substance Name: ZK 112993
RN: 105114-63-4
UNII: 1EZJ25PZ5X
InChIKey: OPKMKRUFBKTTRF-GCNJZUOMSA-N

Classification Code

  • Antineoplastic Agents

Molecular Formula

  • C29-H32-O3

Molecular Weight

  • 428.569
 
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Names and Synonyms

Name of Substance

  • ZK 112993

Synonyms

  • UNII-1EZJ25PZ5X
  • ZK 112,993

Systematic Name

  • Estra-4,9-dien-3-one, 11-(4-acetylphenyl)-17-hydroxy-17-(1-propynyl)-, (11beta,17beta)-

Registry Numbers

CAS Registry Number

  • 105114-63-4

FDA UNII

  • 1EZJ25PZ5X

System Generated Number

  • 0105114634

Structure Descriptors

InChI

1S/C29H32O3/c1-4-14-29(32)15-13-26-24-11-9-21-16-22(31)10-12-23(21)27(24)25(17-28(26,29)3)20-7-5-19(6-8-20)18(2)30/h5-8,16,24-26,32H,9-13,15,17H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1

InChIKey

OPKMKRUFBKTTRF-GCNJZUOMSA-N

Smiles

C12=C3C(=CC(=O)CC3)CC[C@H]1[C@@H]1CC[C@]([C@@]1(C[C@@H]2c1ccc(cc1)C(=O)C)C)(C#CC)O