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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O
Molecular Weight 310.473
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESOGESTREL .DELTA. 3-ISOMER

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C=CCC[C@]34[H]

InChI

InChIKey=RSMGIILCLKIXNG-JASYKLOUSA-N
InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,6,8,16-20,23H,3-4,7,9-14H2,1H3/t16-,17+,18+,19+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O
Molecular Weight 310.473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:14:20 GMT 2023
Edited
by admin
on Sat Dec 16 02:14:20 GMT 2023
Record UNII
GP962JHY3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESOGESTREL .DELTA. 3-ISOMER
Common Name English
DESOGESTREL IMPURITY A
EP  
Common Name English
(+)-DESOGESTREL .DELTA. 3-ISOMER
Common Name English
DESOGESTREL .DELTA.3-ISOMER [USP IMPURITY]
Common Name English
DESOGESTREL RELATED COMPOUND A [USP IMPURITY]
Common Name English
DESOGESTREL RELATED COMPOUND A [USP-RS]
Common Name English
18,19-DINORPREGN-3-EN-20-YN-17-OL, 13-ETHYL-11-METHYLENE-, (5.ALPHA.,17.ALPHA.)-
Common Name English
DESOGESTREL IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1173246
Created by admin on Sat Dec 16 02:14:20 GMT 2023 , Edited by admin on Sat Dec 16 02:14:20 GMT 2023
PRIMARY
PUBCHEM
71587628
Created by admin on Sat Dec 16 02:14:20 GMT 2023 , Edited by admin on Sat Dec 16 02:14:20 GMT 2023
PRIMARY
FDA UNII
GP962JHY3N
Created by admin on Sat Dec 16 02:14:20 GMT 2023 , Edited by admin on Sat Dec 16 02:14:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID20173962
Created by admin on Sat Dec 16 02:14:20 GMT 2023 , Edited by admin on Sat Dec 16 02:14:20 GMT 2023
PRIMARY
CAS
201360-82-9
Created by admin on Sat Dec 16 02:14:20 GMT 2023 , Edited by admin on Sat Dec 16 02:14:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP