U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34N2O5
Molecular Weight 490.5907
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-nitroso-desmethyl-ulipristal acetate

SMILES

CN(N=O)C1=CC=C(C=C1)[C@H]2C[C@@]3(C)[C@@H](CC[C@]3(OC(C)=O)C(C)=O)[C@@H]4CCC5=CC(=O)CCC5=C24

InChI

InChIKey=OBQZILSVVSOABJ-GCNJZUOMSA-N
InChI=1S/C29H34N2O5/c1-17(32)29(36-18(2)33)14-13-26-24-11-7-20-15-22(34)10-12-23(20)27(24)25(16-28(26,29)3)19-5-8-21(9-6-19)31(4)30-35/h5-6,8-9,15,24-26H,7,10-14,16H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H34N2O5
Molecular Weight 490.5907
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ANC855XY6S
Record Status Validated (UNII)
Record Version