59733-86-7
BUTIKACIN
Name
BUTIKACIN
Formula
C22 H45 N5 O12
MolWeight
571.62
1Identification
【Name】
BUTIKACIN
【CAS】
【MDL】
MFCD00865042
【English Synonyms】
【Formula】
C22 H45 N5 O12
【MolWeight】
571.62
【Inchi】
InChI=1S/C22H45N5O12/c23-2-1-7(29)5-27-9-3-8(25)19(38-22-17(34)16(33)14(31)10(4-24)36-22)18(35)20(9)39-21-15(32)12(26)13(30)11(6-28)37-21/h7-22,27-35H,1-6,23-26H2/t7-,8-,9+,10+,11+,12-,13+,14+,15+,16-,17+,18-,19+,20-,21+,22+/m0/s1
【InChIKey】
InChIKey=OCFOTEIMZBKQFS-DGMGPCKZSA-N
【SMILES】
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:13
H bond acceptor:17
XLogP3:-7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BUTIKACIN.cml
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