Androst-4-ene-3,6,17-trione

HCID 150986
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Basic information

CAS
2243-06-3
Standard SMILES
C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
PJMNEPMSGCRSRC-IEVKOWOJSA-N
Molecular formula
C19H24O3
Average molar mass
300.4 g/mol
Monoisotopic mass
300.17254463

Names & identifiers

Preferred name
Androst-4-ene-3,6,17-trione
IUPAC
(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
English name
Androst-4-ene-3,6,17-trione
Molecular formula
C19H24O3
Molecular weight
300.39

Names & synonyms

Androst-4-ene-3,6,17-trione2243-06-34-Androstene-3,6,17-trione6-Oxo-androstenedione6-OXOL8L0381OBPJ352.701HDTXSID608628886-oxoandrostenedioneRefChem:112619DTXCID601333654(8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
Show more names
4-Androstenetriol4-AndrostenetrioneAndrost-4-ene-3,6,17-trione Raw Powder10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,17-trione
(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6,17(2H)-trione4-Androsten-3,6,17-trione(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,5,7-trione6-OXO-ADIONUNII-L8L0381OBPSCHEMBL427124-ATCHEMBL5290788

Database identifiers

CAS
2243-06-3
PubChem CID
150986
DTXSID
DTXSID60862888
ChEMBL
CHEMBL5290788
UNII
L8L0381OBP
Nikkaji
J352.701H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
51.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
22

Physicochemical properties

Melting point
223 · 223-224°C
Boiling point
460 · 460.0±45.0 °C(Predicted)
Density
1.18 · 1.18
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Slightly), Methanol (Slightly, Heated)
form
Solid

Chemistry & industry

Applications

UsesAn aromatase inhibitor

Suppliers32 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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