141505-33-1
LEVOSIMENDAN
Name
LEVOSIMENDAN
Formula
C14 H12 N6 O
MolWeight
280.29
1Identification
【Name】
LEVOSIMENDAN
【CAS】
131741-08-7
;141505-33-1
【MDL】
MFCD00867135
【English Synonyms】
【Formula】
C14 H12 N6 O
【MolWeight】
280.29
【Inchi】
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m1/s1
【InChIKey】
InChIKey=WHXMKTBCFHIYNQ-SECBINFHSA-N
【SMILES】
C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NN=C(C#N)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
LEVOSIMENDAN.cml
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