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CHEBI:50815 - norgestimate

ChEBI IDCHEBI:50815
ChEBI Namenorgestimate
Stars
Last Modified22 February 2017
SubmitterInma Spiteri
DownloadsMolfile
FormulaC23H31NO3
Net Charge0
Average Mass369.505
Monoisotopic Mass369.23039
SMILES[H][C@@]12CCC3=C/C(=N/O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(CC)[C@@]2([H])CC[C@]1(C#C)OC(C)=O
InChIInChI=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
InChIKeyKIQQMECNKUGGKA-NMYWJIRASA-N
Wikipedia
Roles Classification
Biological Role:
progestin  A synthetic progestogen.
Applications:
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
contraceptive drug  A chemical substance that prevents or reduces the probability of conception.
ChEBI Ontology
Outgoing Relation(s)
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  Source
norgestimateChEBI
norgestimatoChemIDplus
norgestimatumChemIDplus
Synonyms  Source
(+)-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-oximeChemIDplus
Dexnorgestrel acetimeChemIDplus
d-13β-Ethyl-17α-ethynyl-17β-acetoxygon-4-en-3-one oximeChemIDplus
Manual XrefsDatabases
DB00957DrugBank
D05209KEGG DRUG
DE2633210Patent
US4027019Patent
NorgestimateWikipedia
1968DrugCentral
Registry NumbersSources
CAS:35189-28-7ChemIDplus