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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO2
Molecular Weight 327.4605
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NORELGESTROMIN, (E)-

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]3([H])[C@@]4([H])CC\C(C=C4CC[C@@]23[H])=N/O

InChI

InChIKey=ISHXLNHNDMZNMC-VTKCIJPMSA-N
InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H29NO2
Molecular Weight 327.4605
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 Sat Dec 16 19:05:45 UTC 2023
Edited
by admin
on Sat Dec 16 19:05:45 UTC 2023
Record UNII
UM2XKY25DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORELGESTROMIN, (E)-
Common Name English
(E)-17-DEACETYLNORGESTIMATE
Common Name English
(3E)-13.BETA.-ETHYL-3-(HYDROXYIMINO)-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17-OL
Systematic Name English
17-DEACETYLNORGESTIMATE, (E)-
Common Name English
((E)-NORELGESTROMIN)
Common Name English
NORGESTIMATE IMPURITY C [EP IMPURITY]
Common Name English
ANTI-NORELGESTROMIN
Common Name English
18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-17-HYDROXY-, OXIME, (3E,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9568628
Created by admin on Sat Dec 16 19:05:45 UTC 2023 , Edited by admin on Sat Dec 16 19:05:45 UTC 2023
PRIMARY
CAS
74183-55-4
Created by admin on Sat Dec 16 19:05:45 UTC 2023 , Edited by admin on Sat Dec 16 19:05:45 UTC 2023
PRIMARY
FDA UNII
UM2XKY25DH
Created by admin on Sat Dec 16 19:05:45 UTC 2023 , Edited by admin on Sat Dec 16 19:05:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
The combined limits for (Z)- and (E)-17-deacetylnorgestimate are NMT 0.3%
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP