86433-33-2
3-(2-METHYL-N-PIPERIDINO)PROPYL 3-METHYLFLAVONE-8-CARBOXYLATE HYDROCHLORIDE HYDRATE
Name3-(2-METHYL-N-PIPERIDINO)PROPYL 3-METHYLFLAVONE-8-CARBOXYLATE HYDROCHLORIDE HYDRATE
pro_formulaC26 H29 N O4 . Cl H . H2 O
1Identification
【Name】
3-(2-METHYL-N-PIPERIDINO)PROPYL 3-METHYLFLAVONE-8-CARBOXYLATE HYDROCHLORIDE HYDRATE
【CAS】
【MDL】
MFCD01662379
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H29 N O4 . Cl H . H2 O
【pro_molWeight】
473.994
【Inchi】
InChI=1S/C26H29NO4.ClH.H2O/c1-18-10-6-7-15-27(18)16-9-17-30-26(29)22-14-8-13-21-23(28)19(2)24(31-25(21)22)20-11-4-3-5-12-20;;/h3-5,8,11-14,18H,6-7,9-10,15-17H2,1-2H3;1H;1H2
【InChIKey】
InChIKey=LLPANFGVRHJQTP-UHFFFAOYSA-N
【SMILES】
Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)OCCCN4CCCCC4C.O.Cl
【MOL File】
3-(2-METHYL-N-PIPERI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2-METHYL-N-PIPERIDINO)PROPYL 3-METHYLFLAVONE-8-CARBOXYLATE HYDROCHLORIDE HYDRATE.cml