U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33NO4
Molecular Weight 387.5124
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of [[[(3E)-20-Oxopregn-4-en-3-ylidene]amino]oxy]acetic acid

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=C\C(CC[C@]34C)=N\OCC(O)=O

InChI

InChIKey=PPELYUTTZHLIAZ-CDUDAXDSSA-N
InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-16+/t17-,18+,19-,20-,22-,23+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
[[[(3E)-20-Oxopregn-4-en-3-ylidene]amino]oxy]acetic acid
Systematic Name English
Acetic acid, [[[(3E)-20-oxopregn-4-en-3-ylidene]amino]oxy]-
Common Name English
Code System Code Type Description
CAS
58116-42-0
Created by admin on Sat Dec 16 19:17:41 GMT 2023 , Edited by admin on Sat Dec 16 19:17:41 GMT 2023
PRIMARY
PUBCHEM
11977776
Created by admin on Sat Dec 16 19:17:41 GMT 2023 , Edited by admin on Sat Dec 16 19:17:41 GMT 2023
PRIMARY
FDA UNII
8N5C9L9PDH
Created by admin on Sat Dec 16 19:17:41 GMT 2023 , Edited by admin on Sat Dec 16 19:17:41 GMT 2023
PRIMARY