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Abiraterone-d4

CAT: 0024-sc-479397Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-479397Size:1 mg
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CAS Number
2122245-62-7

Chemical Information

Abiraterone-d4
CAS Number2122245-62-7
PubChem CID71312697
IUPAC Name(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(2,4,5,6-tetradeuterio-3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC24H31NO
Molecular Weight353.5
XLogP4.6
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity636
SMILES
[2H]C1=C(C(=C(N=C1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)[2H]
InChI
InChI=1S/C24H31NO/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/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1/i3D,4D,13D,15D
InChIKey
GZOSMCIZMLWJML-UQHOXKPTSA-N
Chemical Structure
2D Structure
2D structure of Abiraterone-d4
CAS: 2122245-62-7
CID: 71312697
Formula: C24H31NO
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass353.265671596
Monoisotopic Mass353.265671596
Topological Polar Surface Area33.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity636
Isotope Atom Count4
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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Alternative Products

CatalogName
BA7266-25D4-abiraterone
HY-70013S-01Abiraterone-d4
A19987-25D4-abiraterone 25mg
A19987-10D4-abiraterone 10mg
AR-A05206-01Abiraterone-d4 Acetate
A19987-100D4-abiraterone 100mg
A19987-5D4-abiraterone 5mg
HY-75054SAbiraterone acetate-d4
A19987-50D4-abiraterone 50mg
001020Abiraterone Acetate-d4 discontinued

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