AG008RBC

104239-97-6 | 4-AZA-5A-ANDROSTAN-1-ENE-3-ONE-17B-CARBOXYLIC ACID

AG008RBC

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CAS Number	104239-97-6
Catalog Number	AG008RBC(AGN-PC-0007CW)
Chemical Name	4-AZA-5A-ANDROSTAN-1-ENE-3-ONE-17B-CARBOXYLIC ACID
IUPAC Name	(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid
InChI	InChI=1S/C19H27NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h8,10-15H,3-7,9H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1
InChI Key	FDESQZBVTKLIQN-MLGOENBGSA-N
MDL Number	MFCD08063794
Molecular Formula	C19H27NO3
Molecular Weight	317.4226
SMILES	C[C@@]14[C@@H]([C@@](O)=O)CC[C@]([H])1[C@]3([H])CC[C@@]2([H])NC(C=C[C@@](C)2[C@]([H])3CC4)=O
Synonyms	4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid, 104239-97-6, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-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-carboxylic acid, Finasteride Acid, (5alpha,17beta)-3-Oxo-4-azaandrost-1-ene-17-carboxylic acid, SCHEMBL1099189, BCP10733, CS-M2829, EBD15479, EX-A1949, MFCD08063794, ZINC21991635, AKOS025311234, API0005548, GS-0922, SC-81463, 239A976, 3-Oxo-4-aza-5-ndrost-1-ene-17-carboxylic Acid, Dutasteride Impurity A (Dutasteride Acid Impurity), 3-Oxo-4-aza-5|A-androst-1-ene-17|A-carboxylic acid, 4-aza-5|A-androstan-1-ene-3-one-17|A-carboxylic acid, (1S,2R,7R,10S,11S,14S,15S)-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxylic acid, (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylic acid, 1H-Indeno[5,4-f]quinoline-7-carboxylicacid,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)-, 3-Oxo-4-aza-5, C19 H27 N O3, CID9839970, CS-O-32353, CID 9839970, 4-aza-5a-androstan-1-ene-3-one-17|A-carboxylic acid, 4-aza-5alpha-Androsta-1-en-3-one-17beta-Carboxylic acid,

Complexity	585
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	317.199g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	317.429g/mol
Monoisotopic Mass	317.199g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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