Roxifiban
methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate
Also Known As: Roxifiban|roxifibanum|Roxifiban [INN]|DMP754|ROXIFIBAN [WHO-DD]|DMP 754|DMP-754|methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate|L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, methyl ester, (R)-|methyl (S)-2-((butoxycarbonyl)amino)-3-(2-((R)-3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl)acetamido)propanoate|(2S)-2-(Butoxycarbonylamino)-3-[[(5R)-3-(4-amidinophenyl)-4,5-dihydroisoxazol-5-yl]acetylamino]propanoic acid methyl ester|(2S)-3-(2-((5R)-3-(P-AMIDINOPHENYL)-2-ISOXAZOLIN-5-YL)ACETAMIDO)-2-(CARBOXYAMINO)PROPIONIC ACID, 2-BUTYL METHYL ESTER|(2S)-3-[[[[(5R)-4,5-Dihydro-3-(4-amidinophenyl)isoxazol]-5-yl]acetyl]amino]-2-[(butoxycarbonyl)amino]propanoic acid methyl ester|(S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-propionic acid methyl ester|2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl-phenyl)-4,5-dihydro-isoxazol-5-yl]-acetylamino}-propionic acid methyl ester(DMP 754(roxifiban))|3-[[[[(5R)-3-(4-Amidinophenyl)-4,5-dihydroisoxazol]-5-yl]acetyl]amino]-N-(butyloxycarbonyl)-L-alanine methyl ester|L-Alanine, 3-((((5R)-3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, methyl ester|METHYL (2S)-2-[(BUTOXYCARBONYL)AMINO]-3-{2-[(5R)-3-(4-CARBAMIMIDOYLPHENYL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL]ACETAMIDO}PROPANOATE|Methyl N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alaninate
| Molecular Formula | C21H29N5O6 |
|---|---|
| Molecular Weight | 447.2118 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 447.2118 |
| Monoisotopic Mass | 447.2118 |
| Heavy Atoms | 32 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 170902-47-3 |
|---|---|
| SMILES | CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(=N)N)C(=O)OC |
| InChIKey | IRAXRQFCCSHQDX-WBVHZDCISA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Roxifiban (CAS 170902-47-3), with molecular formula C21H29N5O6 and molecular weight 447.2118 g/mol. IUPAC: methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate.
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