| CAS Number | 187870-95-7 |
| Catalog Number | AG00AE5T(AGN-PC-0QGZMP) |
| Chemical Name | Rimeporide hydrochloride |
| IUPAC Name | N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide;hydrochloride |
| InChI | InChI=1S/C11H15N3O5S2.ClH/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13;/h4-5H,1-3H3,(H4,12,13,14,15);1H |
| InChI Key | OURUCFSGKCZIPX-UHFFFAOYSA-N |
| MDL Number | MFCD30533664 |
| Molecular Formula | C11H16ClN3O5S2 |
| Molecular Weight | 369.8448 |
| SMILES | Cl.Cc1cc(c(cc1C(=O)NC(N)=N)S(C)(=O)=O)S(C)(=O)=O |
| Synonyms | Rimeporide Hydrochloride,
187870-95-7,
SCHEMBL1021018,
OURUCFSGKCZIPX-UHFFFAOYSA-N,
SB19016,
N-(4,5-bis-methanesulfonyl-2-methylbenzoyl)guanidinium chloride,
N-(4, 5-bismethanesulfonyl-2-methylbenzoyl)guanidine, hydrochloride,
EMD87580,
EMD 87580,
EMD-87580,
CID9799486,
C481648,
N-(2-methyl-4,5-bis(methylsulfonyl)benzoyl)guanidine,
N-(2-methyl-4,5-bis(methylsulfonyl)benzoyl)guanidine hydrochloride,
N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide Hydrochloride,
|
| Complexity | 638 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.835g/mol |
| Monoisotopic Mass | 369.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number