CAS 21088-15-3 | Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro- | CAS Number 21088-15-3

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21088-15-3 | Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-

CAS No: 21088-15-3 Catalog No: AG002L0N MDL No:MFCD04610442

Product Description

Catalog Number:

AG002L0N

Chemical Name:

Isoquinoline, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydro-

CAS Number:

21088-15-3

Molecular Formula:

C24H33NO4

Molecular Weight:

399.5231

MDL Number:

MFCD04610442

IUPAC Name:

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

InChI:

InChI=1S/C24H33NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,14-16,20,25H,5-8,11-13H2,1-4H3

InChI Key:

VQAZFFDEYWLNPR-UHFFFAOYSA-N

SMILES:

CCOc1cc(ccc1OCC)CC1NCCc2c1cc(OCC)c(c2)OCC

Properties

Complexity:

462

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.241g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.531g/mol

Monoisotopic Mass:

399.241g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7

Literature

Title	Journal
Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A.	Analytical chemistry 20061215
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