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,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:4453 - desogestrel
Main
ChEBI Ontology
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ChEBI Name
desogestrel
ChEBI ID
CHEBI:4453
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H30O
Net Charge
0
Average Mass
310.47300
Monoisotopic Mass
310.22967
InChI
InChI=1S/C22H30O/c1-
4-
21-
14-
15(3)
20-
17-
9-
7-
6-
8-
16(17)
10-
11-
18(20)
19(21)
12-
13-
22(21,23)
5-
2/h2,8,17-
20,23H,3-
4,6-
7,9-
14H2,1H3/t17-
,18-
,19-
,20+,21-
,22-
/m0/s1
InChIKey
RPLCPCMSCLEKRS-BPIQYHPVSA-N
SMILES
[H][C@]12CCCC=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.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
desogestrel (
CHEBI:4453
)
has role
contraceptive drug (
CHEBI:49323
)
desogestrel (
CHEBI:4453
)
has role
progestin (
CHEBI:59826
)
desogestrel (
CHEBI:4453
)
has role
synthetic oral contraceptive (
CHEBI:49326
)
desogestrel (
CHEBI:4453
)
is a
17β-hydroxy steroid (
CHEBI:35343
)
desogestrel (
CHEBI:4453
)
is a
terminal acetylenic compound (
CHEBI:73477
)
IUPAC Name
17α-ethynyl-11-methylidene-18a-homo-estr-4-en-17β-ol
INNs
Sources
désogestrel
ChEBI
desogestrel
ChEBI
desogestrelum
ChEBI
Synonym
Source
13-Ethyl-11-methylene-18,19-dinor-17α-pregn-4-en-20-yn-17-ol
ChemIDplus
Brand Name
Source
Cerazette
DrugBank
Manual Xrefs
Databases
818
DrugCentral
C07629
KEGG COMPOUND
D02367
KEGG DRUG
DB00304
DrugBank
DE2361120
Patent
Desogestrel
Wikipedia
LMST02030104
LIPID MAPS
US3927046
Patent
View more database links
Registry Numbers
Types
Sources
5094648
Beilstein Registry Number
Beilstein
54024-22-5
CAS Registry Number
ChemIDplus
Last Modified
22 February 2017