Sertraline Carbamoyl Glucuronide

CAS: 119733-44-7

Ref. TR-S279990

Product Information

• Name: Sertraline Carbamoyl Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-methylcarbamoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, (1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]-b-D-glucopyranuronic Acid, Sertraline Carbamoyl-O-glucuronid, sertraline carbamoyl-O-glucuronide, (1S-cis)-1-[[4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl]methycarbamate]--D-glucopyranuronic Acid, 1-O-{[(1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl](methyl)carbamoyl}hexopyranuronic acid
• CAS: 119733-44-7

Description

Stability Hygroscopic
Applications The major metabolite of the antidepressant Sertraline.
References Myers, C.E., et al.: Pharmacol. Rev., 33, 1 (1981), Bosslet, K., et al.: Cancer Res., 58, 1195 (1998), Tremaine et. al.: Drug Metabolism and Disposition 17, 542 (1989)

• Brand: TRC

Chemical properties

• Molecular weight: 526.36
• Formula: C₂₄H₂₅Cl₂NO₈
• Color/Form: Neat
• InChI: InChI=1S/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+,21-,23-/m0/s1
• InChI key: InChIKey=IFPBIAXQORQOIY-BQOQXNJCSA-N
• SMILES: CN(C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21