CAS 15547-55-4 | 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline | CAS Number 15547-55-4

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15547-55-4 | 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

CAS No: 15547-55-4 Catalog No: AG0197O6 MDL No:MFCD00543832

Product Description

Catalog Number:

AG0197O6

Chemical Name:

1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

CAS Number:

15547-55-4

Molecular Formula:

C19H23NO4

Molecular Weight:

329.3902

MDL Number:

MFCD00543832

IUPAC Name:

1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

InChI:

InChI=1S/C19H23NO4/c1-21-15-6-5-13(10-16(15)22-2)19-14-11-18(24-4)17(23-3)9-12(14)7-8-20-19/h5-6,9-11,19-20H,7-8H2,1-4H3

InChI Key:

GFMUOHMXSGNQTF-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1OC)C1NCCc2c1cc(OC)c(c2)OC

Properties

Complexity:

394

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.396g/mol

Monoisotopic Mass:

329.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.	Bioorganic & medicinal chemistry letters 20131115
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