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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N2O3
Molecular Weight 444.5653
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-mifepristone

SMILES

CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)C5=CC=C(C=C5)N(C)N=O

InChI

InChIKey=DBJZTWUPIDBBAQ-WKWWZUSTSA-N
InChI=1S/C28H32N2O3/c1-4-14-28(32)15-13-25-23-11-7-19-16-21(31)10-12-22(19)26(23)24(17-27(25,28)2)18-5-8-20(9-6-18)30(3)29-33/h5-6,8-9,16,23-25,32H,7,10-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H32N2O3
Molecular Weight 444.5653
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 Wed Apr 02 18:20:05 GMT 2025
Edited
by admin
on Wed Apr 02 18:20:05 GMT 2025
Record UNII
2ASP7WMR3C
Record Status Validated (UNII)
Record Version
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Name Type Language
N-nitroso-desmethyl-mifepristone
Preferred Name English
Code System Code Type Description
FDA UNII
2ASP7WMR3C
Created by admin on Wed Apr 02 18:20:05 GMT 2025 , Edited by admin on Wed Apr 02 18:20:05 GMT 2025
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