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Norgesterone

HCID 65606
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Basic information

CAS
13563-60-5
Standard SMILES
C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
InChIKey
YPVUHOBTCWJYNQ-SLHNCBLASA-N
Molecular formula
C20H28O2
Average molar mass
300.4 g/mol
Monoisotopic mass
300.20893013

Overview

Norgesterone is a corticosteroid hormone.

Names & identifiers

Preferred name
Norgesterone
IUPAC
(8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
English name
Norgesterone
Molecular formula
C20H28O2
Molecular weight
300.44

Names & synonyms

NorgesteroneVinylestrenolone13563-60-5NorgesteronaNorgesteronumNORVINODRELNSC-72160YFS274763YDTXSID6015948217alpha-Vinyl-5(10)-estrene-17beta-ol-3-oneRefChem:166617DTXCID0081973
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NSC 7216017α-Vinyl-17β-hydroxyestr-5(10)-en-3-one17alpha-Vinylestr-5(10)-en-17beta-ol-3-one19-Norpregna-5(10),20-dien-3-one,17-hydroxy-, (17a)-19-Norpregna-5(10),20-dien-3-one, 17-hydroxy-, (17α)-
17-hydroxy-19-nor-17-pregna-5(10),20-dien-3-one17-beta-hydroxy-19-nor-17-alpha-pregna-5(10),20-dien-3-oneNorgesterone [INN](8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one17.alpha.-Vinyl-5(10)-estrene-17.beta.-ol-3-oneNorgesteronum [Latin]Norgesterona [Spanish]UNII-YFS274763Y

Database identifiers

CAS
13563-60-5
PubChem CID
65606
DTXSID

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
560

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
142 · 142-143°
alpha
161 ° · D +161° (chloroform)
Density
1.12 · 1.12
FDA UNII
274763 Y · YFS274763Y

Chemistry & industry

Additional notes

DefinitionChEBI: Norgesterone is a corticosteroid hormone.

Related reactions

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Compound notes

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DTXSID60159482
ChEMBL
CHEMBL2106812
ChEBI
CHEBI:135271
UNII
YFS274763Y
Nikkaji
J8.126D