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Basic information
- CAS
63-00-3- Standard SMILES
C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
WVAMBAWFDOYFOD-DQXCSHPPSA-N- Molecular formula
- C19H26O3
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.18819469
Names & identifiers
- Preferred name
- 6beta-Hydroxyandrostenedione
- IUPAC
- (6R,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
- English name
- 6A-HYDROXY-ANDROST-4-ENE-3,17-DIONE
- Molecular formula
- C19H26O3
- Molecular weight
- 302.41
Names & synonyms
63-00-36beta-hydroxyandrostenedione6beta-Hydroxy-4-androstene-3,17-dione6-Hydroxy-4-androstene-3,17-dione7E9225W0A9DTXSID70978883Androst-4-ene-3,17-dione, 6-hydroxy-, (6beta)-RefChem:544400DTXCID9014061896 beta-hydroxy-4-androstene-3,17-dione6Beta-hydroxyandrost-4-ene-3,17-dione6b-Hydroxy Androstenedione
Show more names
6β-Hydroxyandrostenedion6β-Hydroxyandrostenedione6β-Hydroxy Androstenedione4-Androstene-6β-ol-3,17-dione4-ANDROSTEN-6β-OL-3, 17-DIONE6β-Hydroxy-4-androstene-317-dione6-Hydroxy-androst-4-ene-3,17-dione6β-Hydroxyandrost-4-ene-3,17-dione
CHEMBL45158806A-HYDROXY-ANDROST-4-ENE-3,17-DIONEAndrost-4-ene-3,17-dione, 6-hydroxy-, (6.beta.)-6?-Hydroxy Androstenedione6beta-Hydroxy Androstenedione (1mg/ml in Methanol)6|A-Hydroxy AndrostenedioneUNII-7E9225W0A9(6R,8R,9S,10R,13S,14S)-6-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 577
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- Boiling point
- 479.1 · 479.1±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.03 · 14.03±0.60(Predicted)
- color
- White to Off-White
- FDA UNII
- 7 E9225W0A9 · 7E9225W0A9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationAndrost-4-ene-3,17-dione, 6-hydroxy-, (6.beta.)-: Does not have an individual approval but may be used under an appropriate group standard
Regulatory information
Regulatory InformationAndrost-4-ene-3,17-dione, 6-hydroxy-, (6.beta.)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Applications
UsesAgonist TCPOBOP. Antagonist
UsesA metabolite of Androstenedione (A637550).
Upstream & downstream products
Downstream products
Suppliers14 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [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]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
1 records
Compound notes
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