CAS 31122-84-6 | 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl- | CAS Number 31122-84-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 31122-84-6

31122-84-6 | 1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-

CAS No: 31122-84-6 Catalog No: AG00326X MDL No:

Product Description

Catalog Number:

AG00326X

Chemical Name:

1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-

CAS Number:

31122-84-6

Molecular Formula:

C18H24I3N3O7

Molecular Weight:

775.1125

IUPAC Name:

5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide

InChI:

InChI=1S/C18H24I3N3O7/c1-8(27)22-16-14(20)11(17(30)23(2)4-9(28)6-25)13(19)12(15(16)21)18(31)24(3)5-10(29)7-26/h9-10,25-26,28-29H,4-7H2,1-3H3,(H,22,27)

InChI Key:

RSBZNKFYPLBYBR-UHFFFAOYSA-N

SMILES:

OCC(CN(C(=O)c1c(I)c(C(=O)N(CC(CO)O)C)c(c(c1I)NC(=O)C)I)C)O

Properties

Complexity:

601

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

774.875g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

775.117g/mol

Monoisotopic Mass:

774.875g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

151A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.2

Literature

Title	Journal
Direct labelling of the human P2X7 receptor and identification of positive and negative cooperativity of binding.	British journal of pharmacology 20070501