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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50815 - norgestimate
Main
ChEBI Ontology
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ChEBI Name
norgestimate
ChEBI ID
CHEBI:50815
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H31NO3
Net Charge
0
Average Mass
369.49718
Monoisotopic Mass
369.23039
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
(3
E
)-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
Manual Xrefs
Databases
1968
DrugCentral
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
22 February 2017