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Etiocholanone

CAT: 0013-GTR19155470-09Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155470-09Size:50 mg
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Description
Etiocholanolone (5β-Androsterone) is the excreted metabolite of testosterone and has anticonvulsant activity. Etiocholanolone is a less potent neurosteroid positive allosteric modulator (PAM) of the GABAA receptor than its enantiomer form.
CAS Number
53-42-9
Purity
>98% (HPLC)
Solubility
DMSO:97 mg/mL (333.97 mM; Need ultrasonic)
Smiles
C[C@] (CC1) ([C@@H] (CC2) [C@H] (CC3) [C@H]1[C@@] (C) (CC1) [C@H]3C[C@@H]1O) C2=O
Molecular Formula
C19H30O2
Molecular Weight
290.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Etiocholanolone

3alpha-hydroxy-5beta-androstan-17-one is an androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals. It has a role as a mouse metabolite and a human metabolite. It is a 17-oxo steroid, a 3alpha-hydroxy steroid and an androstanoid. It derives from a hydride of a 5beta-androstane.

CAS Number53-42-9
PubChem CID5880
IUPAC Name(3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC19H30O2
Molecular Weight290.4
XLogP3.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity458
SMILES
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey
QGXBDMJGAMFCBF-BNSUEQOYSA-N
Chemical Structure
2D Structure
2D structure of Etiocholanolone
CAS: 53-42-9
CID: 5880
Formula: C19H30O2
MW: 290.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass290.224580195
Monoisotopic Mass290.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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