5alpha-Androstane-3beta,17alpha-diol
Basic information
- CAS
5856-11-1- 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-MFXFBURESA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
5alpha-androstane-3beta,17alpha-diol is an androstane-3,17-diol, a 17alpha-hydroxy steroid and a 3beta-hydroxy steroid.
Names & identifiers
- Preferred name
- 5alpha-Androstane-3beta,17alpha-diol
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,17R)-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
- (3S,5R,8R,9S,10S,13S,14S,17R)-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
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
5alpha-androstane-3beta,17alpha-diol5alpha-androstan-3beta,17alpha-diol5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL0IF82ZEY2K5856-11-13beta,17alpha-Dihydroxy-5alpha-androstaneCHEBI:40836Androstane-3,17-diol, (3beta,5alpha,17alpha)-RefChem:1035075alpha Androstane 3beta,17alpha diol5 alpha Androstane 3 beta,17 alpha diol5 alpha-Androstane-3 beta,17 alpha-diol
Show more names
5α-Androstan-3β,17α-diol
UNII-0IF82ZEY2K(3S,5R,8R,9S,10S,13S,14S,17R)-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17-DIOL5?-Androstan-3?,17?-diolST 19:0;O25a-Androstane-3b,17a-diol(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolSCHEMBL49975033b,17a-Dihydroxy-5a-androstane
Database identifiers
- CAS
5856-11-1
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
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 415 · 415.0±18.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- solubility
- Dioxane (Slightly), Methanol (Slightly)
- pka
- 15.07 · 15.07±0.70(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 0 IF82ZEY2K · 0IF82ZEY2K
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationThese compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.
Cellular LocationsCytoplasm
Applications
Uses5β-Androstane-3β,17α-diol is a metabolite of Testosterone (T155000).
Additional notes
DefinitionChEBI: 5alpha-androstane-3beta,17alpha-diol is an androstane-3,17-diol, a 3beta-hydroxy steroid and a 17alpha-hydroxy steroid.
Related reactions
0 records
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Compound notes
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