AG00362K

154229-18-2 | ABIRATERONE ACETATE

AG00362K

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CAS Number	154229-18-2
Catalog Number	AG00362K(AGN-PC-0Q6OW7)
Chemical Name	ABIRATERONE ACETATE
IUPAC Name	[(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
InChI	InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
InChI Key	UVIQSJCZCSLXRZ-UBUQANBQSA-N
MDL Number	MFCD00934213
Molecular Formula	C26H33NO2
Molecular Weight	391.5457
SMILES	C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)[H])[H])(CC=C2C=5C=CC=NC5)[H]
UNII	EM5OCB9YJ6
Synonyms	17-(3-pyridyl)-5,16-androstadien-3beta-acetate, abiraterone acetate, CB 7630, CB-7630, CB7630, Zytiga, Abiraterone acetate, 154229-18-2, Zytiga, CB7630, CB 7630, Abiraterone (acetate), Yonsa, UNII-EM5OCB9YJ6, CB-7630, 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate, EM5OCB9YJ6, CHEBI:68639, (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, [(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, 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate, 3beta-17-(3-Pyridyl)androsta-5,16-dien-3-ol Acetate, (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate, Abiraterone Acotate, 17-(3-Pyridyl)androsta-5, acetate, Androsta-5, 17-(3-pyridinyl)-, 3-acetate,, Abiraterone Acetate (CB7630), Abiraterone acetate [USAN], MFCD00934213, 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, Zytiga (TN), DSSTox_CID_28969, DSSTox_RID_83234, DSSTox_GSID_49043, SCHEMBL93715, Abiraterone-Acetate-CB7630, MLS006010090, Abiraterone acetate/CB 7630, CHEMBL271227, GTPL9288, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-, DTXSID3049043, Abiraterone acetate (JAN/USAN), CTK8E7107, EX-A107, UVIQSJCZCSLXRZ-UBUQANBQSA-N, [(3S,10R,13S)-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, AMX10148, BCP02949, EBD32544, ZINC3809191, Tox21_113589, ABP001055, BDBM50407398, NSC748121, NSC749227, s2246, Abiraterone acetate, >=98% (HPLC), AKOS015896502, AB07697, ACN-031820, CS-0544, DS-2007, JNJ 212082, NSC-748121, NSC-749227, JNJ-2012082, AC-25760, AJ-45666, BC657179, HY-75054, SC-66343, SMR004701235, AB0032741, RT-011150, CAS-154229-18-2, ST24024598, X6144, D09701, S-7704, 3b-acetoxy-17-(3-pyridyl)androsta-5,16-diene, 17-(3-Pyridyl)-5,16-androstadien-3-b-acetate, 3|A-acetoxy-17-(3-pyridyl)androsta-5,16-diene, A809510, 3beta-Acetoxy-17-(3-pyridyl)androsta-5,16-diene, I06-2461, W-201385, BRD-K24048528-001-02-5, (3?)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate, (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol acetate (ester), Abiraterone acetate, United States Pharmacopeia (USP) Reference Standard, (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-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate, acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester, D06CNP, cc-240, C26H33NO2, C26-H33-N-O2, CID9821849, CS-T-46859, JNJ-212082, A2891, A4312, A8202, C089742, D000069501, (3beta)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate, 851895-79-9,

Complexity	739
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	391.251g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	391.555g/mol
Monoisotopic Mass	391.251g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335-H350-H360
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number