89683-26-1
10-((1-CARBOXY-2-METHYLPROPYLIDENE)AMINO)-9-HYDROXY-2-METHYLELLIPTICINIUM
Name10-((1-CARBOXY-2-METHYLPROPYLIDENE)AMINO)-9-HYDROXY-2-METHYLELLIPTICINIUM
1Identification
【Name】
10-((1-CARBOXY-2-METHYLPROPYLIDENE)AMINO)-9-HYDROXY-2-METHYLELLIPTICINIUM
【CAS】
【MDL】
MFCD01690636
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C23 H24 N3 O3
【pro_molWeight】
390.461
【Inchi】
InChI=1S/C23H23N3O3/c1-11(2)20(23(28)29)25-22-17(27)7-6-16-19(22)18-12(3)15-10-26(5)9-8-14(15)13(4)21(18)24-16/h6-11H,1-5H3,(H2,27,28,29)/p+1/b25-20+
【InChIKey】
InChIKey=RHYPLJPVNIHGFM-LKUDQCMESA-O
【SMILES】
Cc1c2cc[n+](cc2c(c3c1[nH]c4c3c(c(cc4)O)/N=C(\C(C)C)/C(=O)O)C)C
【MOL File】
10-((1-CARBOXY-2-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
10-((1-CARBOXY-2-METHYLPROPYLIDENE)AMINO)-9-HYDROXY-2-METHYLELLIPTICINIUM.cml