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6024-85-7

6024-85-7 | 2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride

CAS No: 6024-85-7 Catalog No: AG019FWF MDL No:

Product Description

Catalog Number:
AG019FWF
Chemical Name:
2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline hydrochloride
CAS Number:
6024-85-7
Molecular Formula:
C21H26ClNO4
Molecular Weight:
391.8884
IUPAC Name:
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline;hydrochloride
InChI:
InChI=1S/C21H25NO4.ClH/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;/h5-6,10-11,17H,7-9,12H2,1-4H3;1H
InChI Key:
MGSZZQQRTPWMEI-UHFFFAOYSA-N
SMILES:
COc1cc2CCN3C(c2cc1OC)Cc1c(C3)c(OC)c(cc1)OC.Cl

Properties

Complexity:
475  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.155g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
391.892g/mol
Monoisotopic Mass:
391.155g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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