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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32NO4.K
Molecular Weight 425.6028
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Potassium [[[(3Z)-20-oxopregn-4-en-3-ylidene]amino]oxy]acetate

SMILES

[K+].[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=PBPKEKVELFWZEA-NQQNSKCUSA-M
InChI=1S/C23H33NO4.K/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);/q;+1/p-1/b24-16-;/t17-,18+,19-,20-,22-,23+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C23H32NO4
Molecular Weight 386.5045
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:56 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:56 GMT 2023
Record UNII
G96F9WV6M2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Potassium [[[(3Z)-20-oxopregn-4-en-3-ylidene]amino]oxy]acetate
Systematic Name English
Acetic acid, [[[(3Z)-20-oxopregn-4-en-3-ylidene]amino]oxy]-, potassium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
101642955
Created by admin on Sat Dec 16 19:20:56 GMT 2023 , Edited by admin on Sat Dec 16 19:20:56 GMT 2023
PRIMARY
FDA UNII
G96F9WV6M2
Created by admin on Sat Dec 16 19:20:56 GMT 2023 , Edited by admin on Sat Dec 16 19:20:56 GMT 2023
PRIMARY