Ono 3403
(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate;methanesulfonic acid
Also Known As: Ethiprole|ONO 3403|ONO-3403|ONO-3403 mesylate|ONO3403|SID:135727755|(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate;methanesulfonic acid|O=C(OC1=CC=C(C(N)=N)C=C1)C2=CC=C(/C=C(C)/C(N(CC(OCC)=O)CC=C)=O)C=C2.CS(=O)(O)=O|ethyl N-allyl-N-(2-methyl-3-(4-(4-amidinophenoxycarbonyl)phenyl)propenoyl)aminoacetate methanesulfonate|(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate|(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate; methanesulfonic acid|Benzoic acid, 4-((1E)-3-((2-ethoxy-2-oxoethyl)-2-propenylamino)-2-methyl-3-oxo-1-propenyl)-, 4-(aminoiminomethyl)phenyl ester, monomethanesulfonate|Benzoic acid, 4-(3-((2-ethoxy-2-oxoethyl)-2-propenylamino)-2-methyl-3-oxo-1-propenyl)-, 4-(aminoiminomethyl)phenyl ester, (E)-, monomethanesulfonate
| Molecular Formula | C26H31N3O8S |
|---|---|
| Molecular Weight | 545.18317 g/mol |
| LogP | 2.67487 |
| Topological Polar Surface Area | 177.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.18317 |
| Monoisotopic Mass | 545.18317 |
| Heavy Atoms | 38 |
| Complexity | 1276.7783 |
Chemical Identifiers
| CAS Number | 181586-07-2 |
|---|---|
| SMILES | CCOC(=O)CN(CC=C)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C.CS(=O)(=O)O |
Product Overview
Ono 3403 (CAS 181586-07-2), with molecular formula C26H31N3O8S and molecular weight 545.18317 g/mol. IUPAC: (4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-methyl-3-oxoprop-1-enyl]benzoate;methanesulfonic acid.