Catalog Number:
AG000X99
Chemical Name:
2-Butanone, 4-[(2-aminoethyl)(5-chloro-2-benzoxazolyl)amino]-, methanesulfonate (1:2)
CAS Number:
1276666-12-6
Molecular Formula:
C15H24ClN3O8S2
Molecular Weight:
473.9494
MDL Number:
MFCD22124909
IUPAC Name:
4-[2-aminoethyl-(5-chloro-1,3-benzoxazol-2-yl)amino]butan-2-one;methanesulfonic acid
InChI:
InChI=1S/C13H16ClN3O2.2CH4O3S/c1-9(18)4-6-17(7-5-15)13-16-11-8-10(14)2-3-12(11)19-13;2*1-5(2,3)4/h2-3,8H,4-7,15H2,1H3;2*1H3,(H,2,3,4)
InChI Key:
OFKOSCAPTIAIEF-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CS(=O)(=O)O.NCCN(c1oc2c(n1)cc(cc2)Cl)CCC(=O)C
