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75945-58-3 | 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 6-phenylpteridine-2,4,7-triamine
CAS No: 75945-58-3 Catalog No: AG005GZK MDL No:
Product Description
Catalog Number:
AG005GZK
Chemical Name:
4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 6-phenylpteridine-2,4,7-triamine
CAS Number:
75945-58-3
Molecular Formula:
C24H22ClN9O5S
Molecular Weight:
584.0068
IUPAC Name:
4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid;6-phenylpteridine-2,4,7-triamine
InChI:
InChI=1S/C12H11ClN2O5S.C12H11N7/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1-5H,(H6,13,14,15,17,18,19)
InChI Key:
OZYKHQCACWDMOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N.Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N
Properties
Complexity:
787
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.115g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
584.008g/mol
Monoisotopic Mass:
583.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Angiotensin converting enzyme inhibitors and diuretics. | British medical journal (Clinical research ed.) 19871121 |
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