1,4-BENZODIOXIN-5-CARBOXYLIC ACID, 2,3-DIHYDRO-8-(2-(HYDROXYMETHYL)-3-(4-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-1-PIPERAZINYL)PROPOXY)-, 3-METHYLBUTYL ESTER, MONOHYDROCHLORIDE

pro_cas
86580-12-3
pro_cdbregno
CCD00252687
pro_formula
C34 H46 N2 O10 . Cl H
pro_molWeight
679.202

basic_info

Product_Name: 1,4-BENZODIOXIN-5-CARBOXYLIC ACID, 2,3-DIHYDRO-8-(2-(HYDROXYMETHYL)-3-(4-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-1-PIPERAZINYL)PROPOXY)-, 3-METHYLBUTYL ESTER, MONOHYDROCHLORIDE
CAS: 86580-12-3
EnglishSynonyms: 1,4-BENZODIOXIN-5-CARBOXYLIC ACID, 2,3-DIHYDRO-8-(2-(HYDROXYMETHYL)-3-(4-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-1-PIPERAZINYL)PROPOXY)-, 3-METHYLBUTYL ESTER, MONOHYDROCHLORIDE
pro_mdlNumber: MFCD01762360
pro_acceptors: 12
pro_donors: 1
pro_smile: CC(C)CCOC(=O)c1ccc(c2c1OCCO2)OCC(CN3CCN(CC3)C(=O)/C=C/c4cc(c(c(c4)OC)OC)OC)CO.Cl
InChi: InChI=1S/C34H46N2O10.ClH/c1-23(2)10-15-45-34(39)26-7-8-27(33-31(26)43-16-17-44-33)46-22-25(21-37)20-35-11-13-36(14-12-35)30(38)9-6-24-18-28(40-3)32(42-5)29(19-24)41-4;/h6-9,18-19,23,25,37H,10-17,20-22H2,1-5H3;1H/b9-6+;
InChiKey: InChIKey=YUOROCYDRJMIHS-MLBSPLJJSA-N

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