CAS 23942-99-6 | [S-(R*,S*)]-3,4-dimethoxy-alpha1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-o-xylene-alpha,alpha'-diol | CAS Number 23942-99-6

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23942-99-6 | [S-(R,S)]-3,4-dimethoxy-alpha1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-o-xylene-alpha,alpha'-diol

CAS No: 23942-99-6 Catalog No: AG00C305 MDL No:

Product Description

Catalog Number:

AG00C305

Chemical Name:

[S-(R*,S*)]-3,4-dimethoxy-alpha1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-o-xylene-alpha,alpha'-diol

CAS Number:

23942-99-6

IUPAC Name:

[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol

InChI:

InChI=1S/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3

InChI Key:

BHLLOBXLOWXZDQ-UHFFFAOYSA-N

EC Number:

245-946-7

Properties

Complexity:

566

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

417.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

417.458g/mol

Monoisotopic Mass:

417.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

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