Name: Name:2-(2-(4-(2-(6,7-Dimethoxy-3,4-Dihydroisoquinolin-2(1H)-Yl)Ethyl)Phenyl)-2H-Tetrazol-5-Yl)-4,5-Dimethoxyaniline
Brand: Angene
SKU: AG01DGVW
Rating: 90 (10 reviews)

2-(2-(4-(2-(6,7-Dimethoxy-3,4-Dihydroisoquinolin-2(1H)-Yl)Ethyl)Phenyl)-2H-Tetrazol-5-Yl)-4,5-Dimethoxyaniline

CAS No.:

849675-46-3

Catalog Number:

AG01DGVW

Molecular Formula:

C28H32N6O4

Molecular Weight:

516.5915

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Purity

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Product Description

Catalog Number:

AG01DGVW

Chemical Name:

2-(2-(4-(2-(6,7-Dimethoxy-3,4-Dihydroisoquinolin-2(1H)-Yl)Ethyl)Phenyl)-2H-Tetrazol-5-Yl)-4,5-Dimethoxyaniline

CAS Number:

849675-46-3

Molecular Formula:

C28H32N6O4

Molecular Weight:

516.5915

MDL Number:

MFCD30471946

IUPAC Name:

2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyaniline

InChI:

InChI=1S/C28H32N6O4/c1-35-24-13-19-10-12-33(17-20(19)14-25(24)36-2)11-9-18-5-7-21(8-6-18)34-31-28(30-32-34)22-15-26(37-3)27(38-4)16-23(22)29/h5-8,13-16H,9-12,17,29H2,1-4H3

InChI Key:

AXPBUYJDGMRABC-UHFFFAOYSA-N

SMILES:

COc1cc(c(cc1OC)N)c1nnn(n1)c1ccc(cc1)CCN1CCc2c(C1)cc(c(c2)OC)OC

UNII:

HV9AT0XM6D

Properties

Complexity:

728

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

516.249g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

516.602g/mol

Monoisotopic Mass:

516.249g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5

Literature

Title	Journal
Metabolism of a new P-glycoprotein inhibitor HM-30181 in rats using liquid chromatography/electrospray mass spectrometry.	Rapid communications in mass spectrometry : RCM 20060101