| CAS Number | 793678-98-5 |
| Catalog Number | AG00ID19 |
| Chemical Name | 3-(1-propyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid |
| IUPAC Name | 3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanoic acid |
| InChI | InChI=1S/C13H17N3O4S/c1-2-7-16-11-4-3-9(21(14,19)20)8-10(11)15-12(16)5-6-13(17)18/h3-4,8H,2,5-7H2,1H3,(H,17,18)(H2,14,19,20) |
| InChI Key | ODHYOZKMIDLFGM-UHFFFAOYSA-N |
| MDL Number | MFCD06363475 |
| Molecular Formula | C13H17N3O4S |
| Molecular Weight | 311.3568 |
| SMILES | CCCN1C2=C(C=C(S(N)(=O)=O)C=C2)N=C1CCC(O)=O |
| Synonyms | 793678-98-5,
3-(1-propyl-5-sulfamoyl-1H-1,3-benzodiazol-2-yl)propanoic acid,
3-[5-(aminosulfonyl)-1-propyl-1H-benzimidazol-2-yl]propanoic acid,
AC1NLPC4,
AC1Q2XUR,
MLS001002559,
CHEMBL1864889,
CTK6E4439,
HMS2771D13,
ZINC3434766,
MFCD06363475,
AKOS000118618,
MCULE-3119695523,
NE44362,
SMR000369091,
EN300-11330,
Z57041991,
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanoic acid,
CID4961584,
3-(1-propyl-5-sulfamoyl-benzoimidazol-2-yl)propanoic Acid,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.356g/mol |
| Monoisotopic Mass | 311.094g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number