Basic information
- CAS
63-01-4- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)C(O)CC12- InChIKey
YMCWOAZGWMZGQT-UHFFFAOYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- 16,17-Dihydroxyandrost-4-en-3-one
- IUPAC
- 16,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 19-Hydroxytestosterone-19-cme
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
16,17-Dihydroxyandrost-4-en-3-one16?-HYDROXYTESTOSTERONE4-androsten-16-beta17-beta-diol-3-one16 alpha-hydroxytestosteroneDTXSID30978884AAA06301NSC41338SAA5289016,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneAndrost-4-en-3-one,17-dihydroxy-, (16.alpha.,17.beta.)-16A-HYDROXYTESTOSTERONE
Show more names
16-hydroxytestosterone16α-Hydroxytestosterone19-Hydroxytestosterone-19-cme4-Androstene-16α,17β-diol-3-one"4-ANDROSTEN-16-α, 17-β-DIOL-3-ONE"16α,17β-Dihydroxyandrost-4-en-3-one4-Androstene-16ALPHA,17B-diol-3-one16A hydroxytestosterone--dea schedule*iii itemAndrost-4-en-3-one, 16,17-dihydroxy-, (16α,17β)-
Database identifiers
- CAS
63-01-4- PubChem CID
- 237641
- DTXSID
DTXSID30978884
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Melting point
- 192 · 192-194 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 76 E963P1A9 · 76E963P1A9
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332-H351-H361
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312
- Hazard Codes
- Xn
- Risk Statements
- 61 · 61-40-20/21/22-63
- Safety Statements
- 53 · 53-22-36/37/39-36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 61-40-20/21/22-63
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 53-22-36/37/39-36/37
- Hazard statements
- H312-H302-H332-H351-H361
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses19-Hydroxytestosterone-19-CME is a derivative of 19-Hydroxyandrostendione (H801500), a novel substituted estrogen as aromatase inhibitor. It induces neuroendocrine trans-differentiation of prostate cancer cells via an ectopic olactory receptor.
Uses16α-Hydroxytestosterone is an metabolite of Testosterone (T155000), the major circulating androgen. Testosterone was found to be metabolized by cytochrome P-450 to 16α-Hydroxytestosterone in rat liver .
Suppliers5 total
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]
湖北扬信医药科技有限公司15347293736 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Additional notes
DefinitionChEBI: 16alpha-hydroxytestosterone is a C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group. It has a role as an androgen. It is a 3-oxo-Delta(4) steroid, a 16alpha-hydroxy steroid, a 17beta-hydroxy steroid, a C19-steroid, an androstanoid, a diol and a secondary alcohol. It is functionally related to a testosterone.
Related reactions
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Compound notes
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