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Substance Name: ZK 97894
RN: 97870-25-2
InChIKey: PUVHXKFZOCCHEZ-XYQIITKLSA-N

Note

  • Mespirenone analog.

Molecular Formula

  • C24-H30-O3-S

Molecular Weight

  • 398.564
 
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Names and Synonyms

Name of Substance

  • ZK 97894

Synonym

  • ZK-97894

Systematic Name

  • 3'H-Cyclopropra(15,16)pregna-1,4,15-triene-21-carboxylic acid, 15,16-dihydro-17-hydroxy-7-(methylthio)-3-oxo-, gamma-lactone, (7alpha,15alpha,16alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 97870-25-2

System Generated Number

  • 0097870252

Structure Descriptors

InChI

1S/C24H30O3S/c1-22-7-4-14(25)10-13(22)11-18(28-3)20-16(22)5-8-23(2)21(20)15-12-17(15)24(23)9-6-19(26)27-24/h4,7,10,15-18,20-21H,5-6,8-9,11-12H2,1-3H3/t15-,16+,17+,18-,20+,21+,22+,23+,24+/m1/s1

InChIKey

PUVHXKFZOCCHEZ-XYQIITKLSA-N

Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]4C[C@@H]4[C@@]25CCC(=O)O5)[C@@H](CC6=CC(=O)C=C[C@]36C)SC