54-03-5
HEXOBENDINE
Name
HEXOBENDINE
Formula
C30 H44 N2 O10
MolWeight
592.682
1Identification
【Name】
HEXOBENDINE
【CAS】
【MDL】
MFCD00868307
【English Synonyms】
【Formula】
C30 H44 N2 O10
【MolWeight】
592.682
【Inchi】
InChI=1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3
【InChIKey】
InChIKey=KRQAMFQCSAJCRH-UHFFFAOYSA-N
【SMILES】
CN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCN(C)CCCOC(=O)c2cc(c(c(c2)OC)OC)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HEXOBENDINE.cml
Quick Release
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