1222084-58-3
2-[DI(2-CHLOROETHYL)AMINO]-1-[1-[(3-ETHYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-YL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-2-ISOQUINOLINYL]-1-ETHANONE DIPERCHLORATE
Name2-[DI(2-CHLOROETHYL)AMINO]-1-[1-[(3-ETHYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-YL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-2-ISOQUINOLINYL]-1-ETHANONE DIPERCHLORATE
FormulaC35 H49 Cl2 N3 O5 . 2 Cl H O4
1Identification
【Name】
2-[DI(2-CHLOROETHYL)AMINO]-1-[1-[(3-ETHYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-YL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-2-ISOQUINOLINYL]-1-ETHANONE DIPERCHLORATE
【CAS】
【MDL】
MFCD01566354
【English Synonyms】
2-[DI(2-CHLOROETHYL)AMINO]-1-[1-[(3-ETHYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-YL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-2-ISOQUINOLINYL]-1-ETHANONE DIPERCHLORATE
【Formula】
C35 H49 Cl2 N3 O5 . 2 Cl H O4
【MolWeight】
863.608
【Inchi】
InChI=1S/C35H49Cl2N3O5.2ClHO4/c1-6-23-21-39-11-7-24-17-31(42-2)33(44-4)19-27(24)29(39)15-26(23)16-30-28-20-34(45-5)32(43-3)18-25(28)8-12-40(30)35(41)22-38(13-9-36)14-10-37;2*2-1(3,4)5/h17-20,23,26,29-30H,6-16,21-22H2,1-5H3;2*(H,2,3,4,5)/t23-,26+,29-,30-;;/m1../s1
【InChIKey】
InChIKey=XOUMFRJBHHYLTE-GSNCJVBESA-N
【SMILES】
CC[C@@H]1CN2CCc3cc(c(cc3[C@H]2C[C@H]1C[C@@H]4c5cc(c(cc5CCN4C(=O)CN(CCCl)CCCl)OC)OC)OC)OC.OCl(=O)(=O)=O.OCl(=O)(=O)=O
【MOL File】
2-[DI(2-CHLOROETHYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[DI(2-CHLOROETHYL)AMINO]-1-[1-[(3-ETHYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-YL)METHYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-2-ISOQUINOLINYL]-1-ETHANONE DIPERCHLORATE.cml