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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

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

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 Wed Apr 02 13:36:59 GMT 2025
Edited
by admin
on Wed Apr 02 13:36:59 GMT 2025
Record UNII
UM2XKY25DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((E)-NORELGESTROMIN)
Preferred Name English
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
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 Wed Apr 02 13:36:59 GMT 2025 , Edited by admin on Wed Apr 02 13:36:59 GMT 2025
PRIMARY
CAS
74183-55-4
Created by admin on Wed Apr 02 13:36:59 GMT 2025 , Edited by admin on Wed Apr 02 13:36:59 GMT 2025
PRIMARY
FDA UNII
UM2XKY25DH
Created by admin on Wed Apr 02 13:36:59 GMT 2025 , Edited by admin on Wed Apr 02 13:36:59 GMT 2025
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