| CAS Number | 1204329-34-9 |
| Catalog Number | AG01E033(AGN-PC-0WP1GU) |
| Chemical Name | 4-(1-Acetyl-4-piperidinyl)-N-(aminoiminomethyl)-3-(trifluoromethyl)benzamide |
| IUPAC Name | 4-(1-acetylpiperidin-4-yl)-N-carbamimidoyl-3-(trifluoromethyl)benzamide;hydrochloride |
| InChI | InChI=1S/C16H19F3N4O2.ClH/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19;/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25);1H |
| InChI Key | SLSZLEROFKLICF-UHFFFAOYSA-N |
| MDL Number | MFCD30182310 |
| Molecular Formula | C16H19F3N4O2 |
| Molecular Weight | 356.3429 |
| SMILES | C(C)(=O)N1CCC(CC1)C1=C(C=C(C(=O)NC=NN)C=C1)C(F)(F)F |
| Synonyms | BIX NHE1 inhibitor,
1204329-34-9,
4-(1-Acetyl-4-piperidinyl)-N-(aminoiminomethyl)-3-(trifluoromethyl)benzamide,
|
| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 392.807g/mol |
| Monoisotopic Mass | 392.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 99.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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