Name: Name:DiMenhydrinate IMpurity(8-chloro-1-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
Brand: Angene
SKU: AG00EJOR
Rating: 90 (10 reviews)

DiMenhydrinate IMpurity(8-chloro-1-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)

CAS No.:

6136-36-3

Catalog Number:

AG00EJOR

Molecular Formula:

C6H5ClN4O2

Molecular Weight:

200.5825

Catalog Number:

AG00EJOR

Chemical Name:

DiMenhydrinate IMpurity(8-chloro-1-Methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)

CAS Number:

6136-36-3

Molecular Formula:

C6H5ClN4O2

Molecular Weight:

200.5825

MDL Number:

MFCD20265670

IUPAC Name:

8-chloro-1-methyl-3,7-dihydropurine-2,6-dione

InChI:

InChI=1S/C6H5ClN4O2/c1-11-4(12)2-3(10-6(11)13)9-5(7)8-2/h1H3,(H,8,9)(H,10,13)

InChI Key:

BDRIIIUEGRRBIA-UHFFFAOYSA-N

SMILES:

Clc1nc2c([nH]1)c(=O)n(c(=O)[nH]2)C

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.582g/mol

Monoisotopic Mass:

200.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7