14alpha-Hydroxytestosterone
Basic information
- CAS
4075-20-1- Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@]12O- InChIKey
GLOZYJRFVSVZDB-XNIJUTNWSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Overview
14alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 14alpha-Hydroxytestosterone
- IUPAC
- (8R,9S,10R,13R,14R,17S)-14,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 14α-Hydroxytestosterone--DEA*schedule II I item
- Molecular formula
- C19H28O3
- Molecular weight
- 304.42
Names & synonyms
14-Hydroxytestosterone4075-20-114alpha-hydroxytestosteroneNSC-6169314,17-Dihydroxyandrost-4-en-3-one214G7661QXDTXSID401314080Androst-4-en-3-one, 14,17-dihydroxy-, (17beta)-RefChem:437467DTXCID60174389914alpha,17beta-Dihydroxyandrost-4-en-3-oneDaeo monohydrate
Show more names
4-Androstene-14α,17β-diol-3-oneAndrost-4-en-3-one, 14,17-dihydroxy-, (17β)-14α-Hydroxytestosterone--DEA*schedule II I item
UNII-214G7661QXNSC 6169314I+/--HydroxytestosteroneSCHEMBL4110742CHEBI:34158NSC6169314.ALPHA.-HYDROXYTESTOSTERONE14a,17b-dihydroxyandrost-4-en-3-one
Database identifiers
- CAS
4075-20-1- PubChem CID
- 247288
- DTXSID
DTXSID401314080- ChEBI
CHEBI:34158- UNII
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 553
Physicochemical properties
- Melting point
- 185 · 185-187 °C
- Boiling point
- 469.5 · 469.5±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.63 · 14.63±0.70(Predicted)
- FDA UNII
- 214 G7661QX · 214G7661QX
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 361 · H361-H312-H351-H302
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 63 · 63-20/21/22-40
- Safety Statements
- 22 · 22-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P302+P352, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 63-20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H361-H312-H351-H302
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P363-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 14alpha,17beta-Dihydroxyandrost-4-en-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Suppliers
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Compound notes
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