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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:50777 - etonogestrel
Main
ChEBI Ontology
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ChEBI Name
etonogestrel
ChEBI ID
CHEBI:50777
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H28O2
Net Charge
0
Average Mass
324.45652
Monoisotopic Mass
324.20893
InChI
InChI=1S/C22H28O2/c1-
4-
21-
13-
14(3)
20-
17-
9-
7-
16(23)
12-
15(17)
6-
8-
18(20)
19(21)
10-
11-
22(21,24)
5-
2/h2,12,17-
20,24H,3-
4,6-
11,13H2,1H3/t17-
,18-
,19-
,20+,21-
,22-
/m0/s1
InChIKey
GCKFUYQCUCGESZ-BPIQYHPVSA-N
SMILES
[H][C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H]
Roles Classification
Biological Role
(s):
progestin
A synthetic progestogen.
Application
(s):
contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
female contraceptive drug
A chemical substance or agent with contraceptive activity in females.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
etonogestrel (
CHEBI:50777
)
has role
contraceptive drug (
CHEBI:49323
)
etonogestrel (
CHEBI:50777
)
has role
female contraceptive drug (
CHEBI:49324
)
etonogestrel (
CHEBI:50777
)
has role
progestin (
CHEBI:59826
)
etonogestrel (
CHEBI:50777
)
is a
17β-hydroxy steroid (
CHEBI:35343
)
etonogestrel (
CHEBI:50777
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
etonogestrel (
CHEBI:50777
)
is a
terminal acetylenic compound (
CHEBI:73477
)
IUPAC Name
17α-ethynyl-17β-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one
INNs
Sources
etonogestrel
ChEBI
étonogestrel
IUPAC
etonogestrelum
ChEBI
Synonyms
Sources
3-Ketodesogestrel
ChemIDplus
3-Oxodesogestrel
ChemIDplus
Brand Name
Source
Implanon
DrugBank
Manual Xrefs
Databases
1110
DrugCentral
D04104
KEGG DRUG
DB00294
DrugBank
EP51762
Patent
US4371529
Patent
View more database links
Registry Numbers
Types
Sources
4237530
Beilstein Registry Number
Beilstein
54048-10-1
CAS Registry Number
ChemIDplus
Last Modified
04 May 2017