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3-Keto Abiraterone

CAT: 1596-AR-A05212-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A05212-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154229-21-7
Synonyms
(10R,13S) -10,13-Dimethyl-17- (pyridin-3-yl) -1,2,6,7,8,9,10,11,12,13,14,15-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; Δ4-Abiraterone
Molecular Formula
C24H29NO
Molecular Weight
347.50
API Name
Abiraterone

Chemical Information

17-(3-Pyridinyl)androsta-4,16-dien-3-one

an androgen receptor antagonist; structure in first source

CAS Number154229-21-7
PubChem CID196941
IUPAC Name(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC24H29NO
Molecular Weight347.5
XLogP4.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity676
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C
InChI
InChI=1S/C24H29NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13-15,19,21-22H,5-6,8-12H2,1-2H3/t19-,21-,22-,23-,24+/m0/s1
InChIKey
GYJZZAJJENTSTP-NHFPKVKZSA-N
Chemical Structure
2D Structure
2D structure of 17-(3-Pyridinyl)androsta-4,16-dien-3-one
CAS: 154229-21-7
CID: 196941
Formula: C24H29NO
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass347.224914549
Monoisotopic Mass347.224914549
Topological Polar Surface Area30 Ų
Heavy Atom Count26
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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