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Abiraterone Impurity 10

CAT: 1299-RM-A021810-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A021810-01Size:10 mg
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CAS Number
165334-68-9
Synonyms
(3S,8R,9S,10R,13S,14S) -10,13-dimethyl-17- (pyridin-2-yl) -2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
Molecular Formula
C26H33NO2
Molecular Weight
391.55
Target Alternative Name
Abiraterone
Product Name Synonym
(3S,8R,9S,10R,13S,14S) -10,13-dimethyl-17- (pyridin-2-yl) -2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

Chemical Information

Abiraterone Impurity 10
CAS Number165334-68-9
PubChem CID10340430
IUPAC Name[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-2-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC26H33NO2
Molecular Weight391.5
XLogP5.2
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity739
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CC=CC=N5)C)C
InChI
InChI=1S/C26H33NO2/c1-17(28)29-19-11-13-25(2)18(16-19)7-8-20-21-9-10-23(24-6-4-5-15-27-24)26(21,3)14-12-22(20)25/h4-7,10,15,19-22H,8-9,11-14,16H2,1-3H3/t19-,20-,21-,22-,25-,26-/m0/s1
InChIKey
PGOIXIJAHGIMNO-BNCSLUSBSA-N
Chemical Structure
2D Structure
2D structure of Abiraterone Impurity 10
CAS: 165334-68-9
CID: 10340430
Formula: C26H33NO2
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass391.251129295
Monoisotopic Mass391.251129295
Topological Polar Surface Area39.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity739
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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