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Trilostane Impurity 2

CAT: 1299-RM-T183502-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T183502-02Size:25 mg
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CAS Number
2301065-59-6
Synonyms
(8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a] (8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a] (8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
Molecular Formula
C20H27NO2
Molecular Weight
313.44
Target Alternative Name
Trilostane
Product Name Synonym
(8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a] (8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a] (8R,9S,10R,13S,14S,17S) -3,17-dihydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile

Chemical Information

Trilostane Impurity 2
CAS Number2301065-59-6
PubChem CID176484790
IUPAC Name(8R,9S,10R,13S,14S,17S)-3,17-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP3.9
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity654
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C[C@]34C)C#N)O
InChI
InChI=1S/C20H27NO2/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17(22)12(11-21)10-20(13,16)2/h9,14-16,18,22-23H,3-8,10H2,1-2H3/t14-,15-,16-,18-,19-,20-/m0/s1
InChIKey
FSWLVBQZGRNUGG-GJCUDGATSA-N
Chemical Structure
2D Structure
2D structure of Trilostane Impurity 2
CAS: 2301065-59-6
CID: 176484790
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area64.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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