Sertraline carbamoyl-O-glucuronide
Molecular Formula:
C24H25Cl2NO8
InChI: InChI=1/C24H25Cl2NO8/c1-27(24(33)35-23-20(30)18(28)19(29)21(34-23)22(31)32)17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(25)16(26)10-11/h2-6,8,10,12,17-21,23,28-30H,7,9H2,1H3,(H,31,32)/t12-,17-,18?,19?,20?,21u,23?/m0/s1/f/h31H
InChIKey: InChIKey=IFPBIAXQORQOIY-MTBVOLBWDU
SMILES: CN(C1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl)C(=O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Names:
beta-D-Glucopyranuronic acid, 1-((4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)methylcarbamate), (1S-cis)-
SCAEG
Sertraline carbamic acid ester glucuronide
Sertraline carbamoyl-O-glucuronide
119733-44-7
6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methyl-carbamoyl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
Registries:
PubChem CID 63010
PubChem ID 205197
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