InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)

【InChIKey】

InChIKey=SAWVGDJBSPLRRB-UHFFFAOYSA-N

【SMILES】

Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCSC(=N)N.CS(=O)(=O)O

【MOL File】

RO 31-8220 MESYLATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:7

XLogP3:0.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

RO 31-8220 MESYLATE.cml

Quick Release

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125314-64-9 RO 31-8220 MESYLATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】