SCAEG

6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: SCAEG|AC1Q61WU|AC1L1Y74|Sertraline carbamoyl-O-glucuronide|Sertraline carbamic acid ester glucuronide|6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|1-o-{[(1s,4s)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl](methyl)carbamoyl}hexopyranuronic acid|1-O-{[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl](methyl)carbamoyl}hexopyranuronic acid|6-((((1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid|6-({[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl](methyl)carbamoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Molecular Formula	C24H25Cl2NO8
Molecular Weight	525.0957 g/mol
LogP	2.92
Topological Polar Surface Area	136.76 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	525.0957
Heavy Atoms	35
Complexity	1114.7

Chemical Identifiers

CAS Number	119733-44-7
SMILES	CN([C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O