CHEBI:50815 - norgestimate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name norgestimate
ChEBI ID CHEBI:50815
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C23H31NO3
Net Charge 0
Average Mass 369.49718
Monoisotopic Mass 369.230
InChI 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
InChIKey KIQQMECNKUGGKA-NMYWJIRASA-N
SMILES [H][C@]12CCC(\C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(CC)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C)=N/O
Roles Classification
Biological Role(s): progestin
A synthetic progestogen.
Application(s): contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing norgestimate (CHEBI:50815) has role contraceptive drug (CHEBI:49323)
norgestimate (CHEBI:50815) has role progestin (CHEBI:59826)
norgestimate (CHEBI:50815) has role synthetic oral contraceptive (CHEBI:49326)
norgestimate (CHEBI:50815) is a ketoxime (CHEBI:24983)
norgestimate (CHEBI:50815) is a steroid ester (CHEBI:47880)
norgestimate (CHEBI:50815) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name
(3E)-17α-ethynyl-3-(hydroxyimino)-18a-homoestr-4-en-17β-yl acetate
INNs Sources
norgestimate ChEBI
norgestimato ChemIDplus
norgestimatum ChemIDplus
Synonyms Sources
(+)-13-Ethyl-17-hydroxy-18,19-dinor-17α-pregn-4-en-20-yn-3-one oxime acetate (ester) ChemIDplus
(17α)-17-(Acetyloxy)-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one 3-oxime ChemIDplus
d-13β-Ethyl-17α-ethynyl-17β-acetoxygon-4-en-3-one oxime ChemIDplus
Dexnorgestrel acetime ChemIDplus
Database Links Databases
D05209 KEGG DRUG
DB00957 DrugBank
DE2633210 Patent
Norgestimate Wikipedia
US4027019 Patent
View more database links
Registry Number Type Source
35189-28-7 CAS Registry Number ChemIDplus
Last Modified
02 May 2013