XC-DAPOL-CPBA (>90%)

Product Specifications

CAS Number

191231-97-7

Synonyms

XC-DAPOL-CPBA; 5-[[[3-[(4-Boronobenzoyl)amino]-2-hydroxypropyl]amino]sulfonyl]-2-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]benzenesulfonic Acid

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

CCNc1ccc(cc1C)\C(=C\2/C=CC(=[NH+]CC)C(=C2)C)\c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)NCC(O)CNC(=O)c4ccc(cc4)B(O)O

Molecular Formula

C35H41BN4O9S2

Molecular Weight

736.66

InChI

InChI=1S/C35H41BN4O9S2/c1-5-37-31-15-9-25(17-22(31)3)34(26-10-16-32(38-6-2)23(4)18-26)30-14-13-29(19-33(30)51(47,48)49)50(45,46)40-21-28(41)20-39-35(42)24-7-11-27(12-8-24)36(43)44/h7-19,28,37,40-41,43-44H,5-6,20-21H2,1-4H3,(H,39,42)(H,47,48,49)

Additionnal Information

IUPAC name: 5-(N-(3-(4-boronobenzamido)-2-hydroxypropyl)sulfamoyl)-2-((4-(ethylamino)-3-methylphenyl)(4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonic acid