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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35NO3
Molecular Weight 445.5931
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (11.BETA.,17.BETA.)-11-(4-(DIMETHYLAMINO)PHENYL)-17-HYDROXY-17-(3-HYDROXY-1-PROPYN-1-YL)ESTRA-4,9-DIEN-3-ONE

SMILES

[H][C@@]12CC[C@@](O)(C#CCO)[C@@]1(C)C[C@H](C3=CC=C(C=C3)N(C)C)C4=C5CCC(=O)C=C5CC[C@@]24[H]

InChI

InChIKey=ULLTWLWXPJPTQG-GCNJZUOMSA-N
InChI=1S/C29H35NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/t24-,25+,26-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35NO3
Molecular Weight 445.5931
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:15:16 UTC 2023
Edited
by admin
on Sat Dec 16 15:15:16 UTC 2023
Record UNII
TY1DH55PN8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(11.BETA.,17.BETA.)-11-(4-(DIMETHYLAMINO)PHENYL)-17-HYDROXY-17-(3-HYDROXY-1-PROPYN-1-YL)ESTRA-4,9-DIEN-3-ONE
Systematic Name English
ESTRA-4,9-DIEN-3-ONE, 11-(4-(DIMETHYLAMINO)PHENYL)-17-HYDROXY-17-(3-HYDROXY-1-PROPYN-1-YL)-, (11.BETA.,17.BETA.)-
Systematic Name English
RU 42698
Common Name English
17ALPHA-HYDROXYMIFEPRISTONE
Common Name English
MIFEPRISTONE METABOLITE, 17ALPHA-HYDROXYMIFEPRISTONE
Common Name English
Code System Code Type Description
PUBCHEM
13605512
Created by admin on Sat Dec 16 15:15:16 UTC 2023 , Edited by admin on Sat Dec 16 15:15:16 UTC 2023
PRIMARY
CAS
105012-15-5
Created by admin on Sat Dec 16 15:15:16 UTC 2023 , Edited by admin on Sat Dec 16 15:15:16 UTC 2023
PRIMARY
DRUG BANK
DBMET01704
Created by admin on Sat Dec 16 15:15:16 UTC 2023 , Edited by admin on Sat Dec 16 15:15:16 UTC 2023
PRIMARY
FDA UNII
TY1DH55PN8
Created by admin on Sat Dec 16 15:15:16 UTC 2023 , Edited by admin on Sat Dec 16 15:15:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE