CAS
119725-84-7 Purity
96%
119725-84-7 Purity
96%
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Sertraline carbamoyl glucuronide
CAS
119733-44-7
Catalog Number
ACM119733447
Category
Other Products
Molecular Weight
526.36
Molecular Formula
C24H25Cl2NO8
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Specification
Synonyms
(1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]-β-D-glucopyranuronic Acid; Sertraline Carbamoyl-O-glucuronide;
IUPAC Name
6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical 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
InChI Key
IFPBIAXQORQOIY-FQAKDOLHSA-N
Boiling Point
726.6ºC at 760 mmHg
Flash Point
393.2ºC
Density
1.57g/cm³
Appearance
White to Off-White Solid
Exact Mass
525.09600
H-Bond Acceptor
8
H-Bond Donor
4
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CAS
119736-19-5 Purity
96%
119736-19-5 Purity
96%
