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Substance Name: Itrocinonide [INN]
RN: 106033-96-9
UNII: 2ZW8NEP6PQ
InChIKey: GCELVROFGZYBHY-JUVXQCODSA-N

Molecular Formula

  • C29-H38-F2-O9

Molecular Weight

  • 568.6062
 
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Names and Synonyms

Name of Substance

  • Itrocinonide [INN]

Synonyms

  • 6alpha,9-Difluoro-11beta,16alpha,17-trihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylic acid, ester with ethyl (S)-1-hydroxyethyl carbonate, cyclic (R)-16,17-acetal with butyraldehyde
  • Itrocinonide
  • UNII-2ZW8NEP6PQ

Systematic Name

  • 6alpha,9-Difluoro-11beta,16alpha,17-trihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylic acid, ester with ethyl (S)-1-hydroxyethyl carbonate, cyclic (R)-16,17-acetal with butyraldehyde.

Registry Numbers

CAS Registry Number

  • 106033-96-9

FDA UNII

  • 2ZW8NEP6PQ

System Generated Number

  • 0106033969

Structure Descriptors

InChI

1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1

InChIKey

GCELVROFGZYBHY-JUVXQCODSA-N

Smiles

CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)O[C@H](C)OC(=O)OCC