AG001V0C

164656-23-9 | 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-

AG001V0C

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CAS Number	164656-23-9
Catalog Number	AG001V0C(AGN-PC-0Q8MQV)
Chemical Name	1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
IUPAC Name	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
InChI	InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1
InChI Key	JWJOTENAMICLJG-QWBYCMEYSA-N
MDL Number	MFCD00937869
Molecular Formula	C27H30F6N2O2
Molecular Weight	528.5297
NSC Number	740477
SMILES	O=C([C@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)C=CC(N[C@]4([H])CC[C@]32[H])=O)NC5=CC(C(F)(F)F)=CC=C5C(F)(F)F
UNII	O0J6XJN02I
Synonyms	17beta-N-(2,5-bis(trifluoromethyl))phenyl-carbamoyl-4-aza-5alpha-androst-1-en-3-one, 745, GG, Avodart, dutasteride, GG 745, GG-745, GG745, GI198745, Dutasteride, 164656-23-9, Avodart, GG-745, GG 745, GI 198745, GI-198745, UNII-O0J6XJN02I, GI198745, O0J6XJN02I, CHEMBL1200969, Avolve, CHEBI:521033, Dutasteride, 99%, (5alpha,17beta)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide, (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2,5-Bis(trifluoromethyl)phenyl)-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide, C27H30F6N2O2, Duagen, (1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide, Avodart (TN), Avidart, Dutasteride (JAN/USAN/INN), Dutasteride [USAN:INN:BAN], NCGC00164571-01, 1H-Indeno(5,4-f)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-, GI-198745X, AC1OCF98, SCHEMBL5903, DSSTox_CID_26452, DSSTox_RID_81626, DSSTox_GSID_46452, GTPL7457, DTXSID8046452, Dutasteride, >=98% (HPLC), AOB5568, JWJOTENAMICLJG-QWBYCMEYSA-N, BCPP000248, BCP02344, EX-A1952, ZINC3932831, Tox21_112199, BDBM50340481, MFCD00937869, NSC740477, s1202, AKOS015920136, AKOS015924431, BCP9000630, CS-1542, DB01126, GS-3565, MCULE-1602474627, NSC-740477, RL02115, N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide, BR-72895, CC-27419, HY-13613, SC-08812, AB1009276, CAS-164656-23-9, FT-0080365, ST24026289, B-2151, D03820, J10036, AB01274774-01, AB01274774_02, 656D239, C-23099, Q-201052, BRD-K30373883-001-02-8, Z1563146168, Dutasteride, European Pharmacopoeia (EP) Reference Standard, Dutasteride, United States Pharmacopeia (USP) Reference Standard, (5|A,17|A)-N-{2,5-Bis(trifluoromethyl)phenyl}-3-oxo-4-azaandrost-l-ene-17-carboxamide, Dutasteride for system suitability, European Pharmacopoeia (EP) Reference Standard, (1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadec-3-ene-14-carboxamide, (5.alpha.,5 bis(trifluoromethyl)phenyl}-3-oxo-4-azaandrost-1-ene-17-carboxamide;dutasteride;Avodart;, (5alpha,17beta)-N-{2,5-bis(trifluoromethyl)-phenyl}-3-oxo-4-azaandrost-1-ene-17-carboxamide, veltride, Dutasteride [USAN], Avidart (TN), Duprost (TN), Dutagen (TN), Avodart, Dutasteride, Avolve (TN), Duagen (TN), Dutas (TN), D0A9YA, Dutasteride(forbidden drug), Dutasteride [USAN:INN:JAN], GG745, 2-Hydroxy-4-trifluoromethylpyrimidine, 745, GG, ACN-046785, C27-H30-F6-N2-O2, CID6918296, CS-O-30894, C108373, D000068538, 17-beta-N-[2,5-Bis(trifluoromethyl)phenyl]carbamoyl-4-aza-5-alpha-androst-1-en-3-one, 17beta-N-(2,5-bis(trifluoromethyl))phenyl-carbamoyl-4-aza-5alpha-androst-1-en-3-one, (1S,3aS,3bS,5aR,9aR,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide, (5-alpha,17-beta)-N-{2,5 bis(trifluoromethyl)phenyl}-3-oxo-4-azaandrost-1-ene-17-carboxamide, 1h-indeno[5,4-f]quinolina-7-carboxamida, n-[2,5-bis(trifluorometil)fenil]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahidro-4a,6a-dimetil-2-oxo-, (4ar,4bs,6as,7s,9as,9bs,11ar)-,

Complexity	964
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	528.221g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	528.539g/mol
Monoisotopic Mass	528.221g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number