Basic information
- CAS
571-20-0- Standard SMILES
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
CBMYJHIOYJEBSB-YSZCXEEOSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
5alpha-androstane-3beta,17beta-diol is an androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone. It has a role as a human metabolite and a Daphnia magna metabolite. It is an androstane-3,17-diol, a 17beta-hydroxy steroid and a 3beta-hydroxy steroid.
Names & identifiers
- Preferred name
- 5alpha-Androstane-3beta,17beta-diol
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 5alpha-Androstane-3b,17b-diol
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
571-20-03beta-androstanediol5alpha-Androstane-3beta,17beta-diolMAXTERONE3beta,17beta-Dihydroxy-5alpha-androstane(3beta,5alpha,17beta)-androstane-3,17-diol5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL3-beta,17-beta-AndrostanediolCHEBI:183293BETA-ADIOL6J0K4253QD5.alpha.-Androstane-3.beta.,17.beta.-diol
Show more names
5α-Androstane-3β,17β-diolANDROSTANEDIOLAndrostane-3,17-diol3β-AdiolANDROSTANDIOLANDROSTANDIOL(RG)
EINECS 209-334-3NSC 50891NSC-508913.BETA.-ADIOL3.beta.,17.beta.-Dihydroxy-5.alpha.-androstaneBRN 25594883.BETA.-ANDROSTANEDIOL5-alpha-ANDROSTANE-3-beta,17-beta-DIOL
Database identifiers
- CAS
571-20-0- PubChem CID
- 242332
- DTXSID
DTXSID8022379
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Drugs
DEA Schedule III Controlled Substance -> Anabolic steroids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
Solubility3 mg/mL
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 374.38 °C · 374.38°C (rough estimate)
- Density
- 1.0164 · 1.0164 (rough estimate)
- refractive index
- 1.4709 · 1.4709 (estimate)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDEA schedule III controlled substance
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- rtecs
- BV8044320
- hs_code
- 29144000
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-45
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- DEA Controlled Substances
- CSCN: 4000CSA SCH: Schedule IIINARC: No
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses5α-Androstane-3β,17β-diol is a metabolite of Testosterone (T155000).
Upstream & downstream products
Downstream products
Suppliers21 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208
上海稳同科技有限公司02151600108 13062666369 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Related reactions
2 records
Compound notes
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