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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:7630 - norgestrel
Main
ChEBI Ontology
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ChEBI Name
norgestrel
ChEBI ID
CHEBI:7630
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H28O2
Net Charge
0
Average Mass
312.44582
Monoisotopic Mass
312.20893
InChI
InChI=1S/C21H28O2/c1-
3-
20-
11-
9-
17-
16-
8-
6-
15(22)
13-
14(16)
5-
7-
18(17)
19(20)
10-
12-
21(20,23)
4-
2/h2,13,16-
19,23H,3,5-
12H2,1H3
InChIKey
WWYNJERNGUHSAO-UHFFFAOYSA-N
SMILES
CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
ChEBI Ontology
Outgoing
norgestrel (
CHEBI:7630
)
is a
17-hydroxy steroid (
CHEBI:36838
)
norgestrel (
CHEBI:7630
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
norgestrel (
CHEBI:7630
)
is a
terminal acetylenic compound (
CHEBI:73477
)
Incoming
dexonorgestrel (
CHEBI:50900
)
has functional parent
norgestrel (
CHEBI:7630
)
levonorgestrel (
CHEBI:6443
)
has functional parent
norgestrel (
CHEBI:7630
)
IUPAC Name
17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one
INNs
Sources
norgestrel
ChEBI
norgestrelum
ChEBI
Synonyms
Sources
LD norgestrel
ChemIDplus
Methylnorethindrone
ChemIDplus
Norgestrel
KEGG COMPOUND
Manual Xrefs
Databases
BE623844
Patent
C08153
KEGG COMPOUND
D00954
KEGG DRUG
DB00506
DrugBank
US3959322
Patent
View more database links
Registry Numbers
Types
Sources
4149572
Beilstein Registry Number
Beilstein
6533-00-2
CAS Registry Number
ChemIDplus
Last Modified
04 May 2017