52443-21-7
GLUCAMETACIN
Name
GLUCAMETACIN
Formula
C25 H27 Cl N2 O8 . H2 O
MolWeight
536.962
1Identification
【Name】
GLUCAMETACIN
【CAS】
【MDL】
MFCD01725278
【English Synonyms】
【Formula】
C25 H27 Cl N2 O8 . H2 O
【MolWeight】
536.962
【Inchi】
InChI=1S/C25H27ClN2O8.H2O/c1-12-16(10-20(30)27-21-23(32)22(31)19(11-29)36-25(21)34)17-9-15(35-2)7-8-18(17)28(12)24(33)13-3-5-14(26)6-4-13;/h3-9,19,21-23,25,29,31-32,34H,10-11H2,1-2H3,(H,27,30);1H2/t19-,21-,22-,23-,25?;/m1./s1
【InChIKey】
InChIKey=OLHLAELYGAHCLF-IBFHGITASA-N
【SMILES】
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@@H]4[C@H]([C@@H]([C@H](OC4O)CO)O)O.O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:10
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
GLUCAMETACIN.cml
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