353270-25-4
VERAPAMIL ETHYL METHANETHIOSULFONATE, BROMIDE
NameVERAPAMIL ETHYL METHANETHIOSULFONATE, BROMIDE
FormulaC30 H45 N2 O6 S2 . Br
1Identification
【Name】
VERAPAMIL ETHYL METHANETHIOSULFONATE, BROMIDE
【CAS】
【MDL】
MFCD02683412
【English Synonyms】
【Formula】
C30 H45 N2 O6 S2 . Br
【MolWeight】
673.729
【Inchi】
InChI=1S/C30H45N2O6S2.BrH/c1-23(2)30(22-31,25-11-13-27(36-5)29(21-25)38-7)15-9-16-32(3,18-19-39-40(8,33)34)17-14-24-10-12-26(35-4)28(20-24)37-6;/h10-13,20-21,23H,9,14-19H2,1-8H3;1H/q+1;/p-1
【InChIKey】
InChIKey=BVUKZMOMCQMWEQ-UHFFFAOYSA-M
【SMILES】
CC(C)C(CCC[N+](C)(CCc1ccc(c(c1)OC)OC)CCSS(=O)(=O)C)(C#N)c2ccc(c(c2)OC)OC.[Br-]
【MOL File】
VERAPAMIL ETHYL METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
VERAPAMIL ETHYL METHANETHIOSULFONATE, BROMIDE.cml