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Sorafenib-β-D-Glucuronide

ISO 17034:
Catalog Number : CS-T-61387
CAS Number : 1130164-93-0
Status : Available
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Chemical Information

Chemical Name : Sorafenib-β-D-Glucuronide
Category : Impurity Standards
Therapeutic : Anti-Cancer / Oncology

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Additional Information

Canonical SMILES : CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)N(C3C(C(C(C(O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)Cl)C(F)(F)F
Isomeric SMILES : CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)N([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI : InChI=1S/C27H24ClF3N4O9/c1-32-23(39)18-11-15(8-9-33-18)43-14-5-2-12(3-6-14)34-26(42)35(13-4-7-17(28)16(10-13)27(29,30)31)24-21(38)19(36)20(37)22(44-24)25(40)41/h2-11,19-22,24,36-38H,1H3,(H,32,39)(H,34,42)(H,40,41)/t19-,20-,21+,22-,24+/m0/s1
InchIKey : HALZWBPBJOJUOZ-QMDPOKHVSA-N
IUPAC Name : (2S,3S,4S,5R,6R)-6-[4-chloro-N-[[4-[2-(methylcarbamoyl)pyridin-4-yl]oxyphenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Exact Mass : 640.1183905
Description : Sorafenib beta-D-Glucuronide is a N-glycosyl compound.

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