Cl-4AS-1 structure

Cl-4AS-1

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Also Known As: Cl-4AS-1|Cytarabine Impurity N3|Cl-4As1|EX-A14425|J3.216.249E|(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide|(4a?,4b?,6a?,7?,9a?,9b?,11a?)-N-(2-Chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(4aalpha,4bbeta,6aalpha,7alpha,9abeta,9balpha,11abeta)-N-(2-Chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2-chlorophenyl)-1,4a,6a-trimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2-Chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-1H-indeno(5,4-f)quinoline-7-carboxamide|(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-(2-Chlorophenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide|1H-INDENO(5,4-F)QUINOLINE-7-CARBOXAMIDE, N-(2-CHLOROPHENYL)-2,4A,4B,5,6,6A,7,8,9,9A,9B,10,11,11A-TETRADECAHYDRO-1,4A,6A-TRIMETHYL-2-OXO-, (4AR-(4A.ALPHA.,4B.BETA.,6A.ALPHA.,7.ALPHA.,9A.BETA.,9B.ALPHA.,11A.BETA.))-|N-(2-Chlorophenyl)-2,4a,4balpha,5,6,6a,7,8,9,9aalpha,9bbeta,10,11,11aalpha-tetradecahydro-1,4abeta,6abeta-trimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7beta-carboxamide

CAS: 30902-36-4
Molecular Formula C26H33ClN2O2
Molecular Weight 440.22305 g/mol
LogP 5.5341
Topological Polar Surface Area 49.41 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 2
Exact Mass 440.22305
Monoisotopic Mass 440.22305
Heavy Atoms 31
Complexity 945.0896

Chemical Identifiers

CAS Number 30902-36-4
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=CC=CC=C4Cl)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C

Product Overview

Cl-4AS-1 (CAS 30902-36-4), with molecular formula C26H33ClN2O2 and molecular weight 440.22305 g/mol. IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide.

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