Abiraterone acetate
CAS Number: 154229-18-2
Molecular Mass: 391.5 g/mol
Formula: C26H33NO2
Smiles: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1
Synonymes:
Abiraterone acetate, 154229-18-2, Zytiga, CB7630, CB-7630, Yonsa, 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate, EM5OCB9YJ6, NSC-748121, NSC-749227, DTXSID3049043, 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate, JNJ-212082, DTXCID4028969, CHEBI:68639, AKEEGA COMPONENT ABIRATERONE ACETATE, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-, ABIRTEGA, RefChem:57134, BR9004, BR9004-1, CB 7630, (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(PYRIDIN-3-YL)-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATE, Abiraterone acetate [USAN], 3-Epiabiraterone Acetate, [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, Abiraterone acetate (Standard), (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate, 17-(3-Pyridyl)androsta-5, acetate, Androsta-5, 17-(3-pyridinyl)-, 3-acetate,, UNII-EM5OCB9YJ6, Abirapro, Abiratas, , Abretone, , Zytiga, , abiraterone-acetate, NCGC00186462-01, 3S,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol, 3-acetate, Abiraterone acetate, CB 7630, Zytiga, (3beta)-17-(3-Pyridinyl)-androsta-5,16-dien-3-ol Acetate (Ester), (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate, Abiraterone Acetate, Abiraterone Acotate, Zytiga (TN), SCHEMBL93715, MLS006010090, CHEMBL271227, GTPL9288, orb1300972, Abiraterone acetate (JAN/USP), ABIRATERONE (AS ACETATE), ABIRATERONE ACETATE [MI], SCHEMBL29353106, ABIRATERONE ACETATE [JAN], EX-A107, UVIQSJCZCSLXRZ-UBUQANBQSA-N, GLXC-07201, ABIRATERONE ACETATE [VANDF], ABIRATERONE ACETATE [MART.], Tox21_113589, ABIRATERONE ACETATE [USP-RS], ABIRATERONE ACETATE [WHO-DD], BDBM50407398, EBC-23629, HY-75054R, NSC748121, NSC749227, s2246, Abiraterone acetate, >=98% (HPLC), AKOS015896502, CS-0544, DS-2007, FA16106, JNJ 212082, NSC 748121, NSC 749227, Abiraterone acetate - Bio-X trade mark, JNJ-2012082, ABIRATERONE ACETATE [ORANGE BOOK], NCGC00379022-06, (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(pyridin-3-yl)-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate, AC-25760, BA164133, BP-43622, HY-75054, SMR004701235, ABIRATERONE ACETATE [USP MONOGRAPH], A2891, CAS-154229-18-2, CS-0694903, D09701, 3b-acetoxy-17-(3-pyridyl)androsta-5,16-diene, EN300-7479171, 17-(3-Pyridyl)-5,16-androstadien-3-b-acetate, F213789, 3beta-Acetoxy-17-(3-pyridyl)androsta-5,16-diene, BRD-K24048528-001-01-7, BRD-K24048528-001-02-5, Q27888393, (3S)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene, 3beta-17-(3-Pyridyl)androsta-5,16-dien-3-ol Acetate, Z1741979782, (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol Acetate, Abiraterone acetate, United States Pharmacopeia (USP) Reference Standard, ANDROSTA-5,16-DIEN-3-OL, 17-(3-PYRIDINYL)-, ACETATE (ESTER), (3.BETA.)-, (1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl acetate, [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 296.0 | - | 129.7 | [373] |
| 1-Propanol | 310.0 | - | 147.6 | [373] |
| Acetone | 296.0 | - | 68.89 | [373] |
| Acetone | 310.0 | - | 95.62 | [373] |
| Acetonitrile | 296.0 | - | 15.62 | [373] |
| Acetonitrile | 310.0 | - | 19.68 | [373] |
| Ethanol | 296.0 | - | 74.83 | [373] |
| Ethanol | 310.0 | - | 84.64 | [373] |
| Isopropanol | 296.0 | - | 68.81 | [373] |
| Isopropanol | 310.0 | - | 73.82 | [373] |
| Methanol | 296.0 | - | 52.67 | [373] |
| Methanol | 310.0 | - | 61.79 | [373] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 984.5747 |
| PMI2 | 8084.8885 |
| PMI3 | 8446.6315 |
| NPR1 | 0.1166 |
| NPR2 | 0.9572 |
| RadiusOfGyration | 4.7294 |
| InertialShapeFactor | 0.0010 |
| Eccentricity | 0.9932 |
| Asphericity | 0.6925 |
| SpherocityIndex | 0.1938 |
| PBF | 0.9244 |