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CHEBI:50815 - norgestimate

Default Structure
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 Roles:
progestin  A synthetic progestogen.
antiviral agent  A substance that destroys or inhibits replication of viruses.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
Applications:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
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 anti-HIV agent (CHEBI:64946)
norgestimate (CHEBI:50815) has role antiviral agent (CHEBI:22587)
norgestimate (CHEBI:50815) has role bone density conservation agent (CHEBI:50646)
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
d-13β-Ethyl-17α-ethynyl-17β-acetoxygon-4-en-3-one oximeChemIDplus
Dexnorgestrel acetimeChemIDplus
NSC-759159ChEMBL
ORF 10131ChEMBL
Brand Names  Source
Norgestimate component of ortho tri-cyclenChEMBL
Norgestimate component of prefestChEMBL
Norgestimate component of previfemChEMBL
Norgestimate component of sprintecChEMBL
Norgestimate component of tri lo sprintecChEMBL
Norgestimate component of tri-previfemChEMBL
Manual XrefsDatabases
1968DrugCentral
D05209KEGG DRUG
DB00957DrugBank
DE2633210Patent
NorgestimateWikipedia
US4027019Patent
Registry NumbersSources
CAS:35189-28-7ChemIDplus
Citations