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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H35NO2
Molecular Weight 429.5937
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIFEPRISTONE 11α-ISOMER

SMILES

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

InChI

InChIKey=VKHAHZOOUSRJNA-PWOFSUAHSA-N
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25-,26-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35NO2
Molecular Weight 429.5937
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 18:44:08 GMT 2023
Edited
by admin
on Sat Dec 16 18:44:08 GMT 2023
Record UNII
PFY87YJN8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIFEPRISTONE 11α-ISOMER
Common Name English
17β-Hydroxy-11α-[4-(dimethylamino)-phenyl]-17α-(prop-1-ynyl)-estra-4,9-dien-3-one
Systematic Name English
Code System Code Type Description
PUBCHEM
6604870
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY
FDA UNII
PFY87YJN8T
Created by admin on Sat Dec 16 18:44:08 GMT 2023 , Edited by admin on Sat Dec 16 18:44:08 GMT 2023
PRIMARY