Sorafenib Hydroxydemethylamine

CAT No.

ALN-S012041

CAS No.

1012058-78-4

Mol. F.

C20H13ClF3N3O4

Mol. Wt.

451.8

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Product Overview

Technical Data

Reference

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Product Overview

Chemical Name : 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxylic Acid; 4-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)picolinic Acid

Smiles : O=C(C1=NC=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C=C2)=C1)O

Inchi : InChI=1S/C54H91NO13Si3/c1-20-70(21-2,22-3)66-38-31-39-53(33-62-39,64-35(8)56)44-46(58)54(61)32-37(34(7)40(51(54,15)16)42(45(57)52(38,44)17)68-71(23-4,24-5)25-6)63-47(59)43(67-69(18,19)50(12,13)14)41(36-29-27-26-28-30-36)55-48(60)65-49(9,10)11/h26-30,37-39,41-44,46,58,61H,20-25,31-33H2,1-19H3,(H,55,60)/t37-,38-,39+,41-,42+,43+,44-,46-,52+,53-,54+/m0/s1

Synonym : Sorafenib related compound 10

Technical Data

Reference

By Yu, Dandan; Liang, XianruinFrom Journal of Mass Spectrometry (2018), 53(7), 579-589.

By Wanii, Tanveer A.; Alanazi, Amer M.; Zargar, Seema; Ahmad, Ajaz; Drawish, Ibrahim A. – From Journal of Computational and Theoretical Nanoscience (2015), 12(10), 3598-3604

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