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

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO3
Molecular Weight 369.4971
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NORGESTIMATE, E-

SMILES

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

InChI

InChIKey=KIQQMECNKUGGKA-NMYWJIRASA-N
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H31NO3
Molecular Weight 369.4971
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 08:39:01 GMT 2025
Edited
by admin
on Wed Apr 02 08:39:01 GMT 2025
Record UNII
NKX8DN6TY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORGESTIMATE, E-
Common Name English
ANTI-NORGESTIMATE
Preferred Name English
18,19-DINORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-13-ETHYL-, 3-OXIME, (3E,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6540478
Created by admin on Wed Apr 02 08:39:01 GMT 2025 , Edited by admin on Wed Apr 02 08:39:01 GMT 2025
PRIMARY
FDA UNII
NKX8DN6TY9
Created by admin on Wed Apr 02 08:39:01 GMT 2025 , Edited by admin on Wed Apr 02 08:39:01 GMT 2025
PRIMARY
CAS
107382-52-5
Created by admin on Wed Apr 02 08:39:01 GMT 2025 , Edited by admin on Wed Apr 02 08:39:01 GMT 2025
PRIMARY
SMS_ID
300000053949
Created by admin on Wed Apr 02 08:39:01 GMT 2025 , Edited by admin on Wed Apr 02 08:39:01 GMT 2025
PRIMARY