Basic information
- CAS
149820-74-6- Standard SMILES
C#C[C@H](CC(=O)OCC)NC(=O)CCC(=O)Nc1ccc(C(=N)N)cc1- InChIKey
ZHCINJQZDFCSEL-CYBMUJFWSA-N- Molecular formula
- C18H22N4O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.1641052
Overview
Xemilofiban is a small molecule drug. The usage of the INN stem '-fiban' in the name indicates that Xemilofiban is a fibrinogen receptor antagonist (glycoprotein IIb/IIIa receptor antagonist). Xemilofiban has a monoisotopic molecular weight of 358.16 Da.
Names & identifiers
- Preferred name
- Xemilofiban
- IUPAC
- ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate
- English name
- Xemilofiban
- Molecular formula
- C18H22N4O4
- Molecular weight
- 358.396
Names & synonyms
Xemilofiban149820-74-6SC-54684P614JI3IYKEthyl-3S-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-4-pentynoateSC54684DTXSID60164410xemilofibanumRefChem:195227DTXCID20869014-Pentynoic acid, 3-004-004-(((aminoiminomethyl)phenyl)amino)-((1,4-dioxobutyl)amino)-, ethyl ester, (S)-Xemilofiban [INN]
Show more names
SC54684ASC-54684AZHCINJQZDFCSEL-CYBMUJFWSA-NSC-54684A|||SC54684A|||SC 54684A4-Pentynoic acid, 3-[[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-, ethyl ester, (3S)-
ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoateCHEMBL76098SC 54684A4-Pentynoic acid, 3-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-, ethyl ester, (S)-UNII-P614JI3IYKCS-551XEMILOFIBAN [MI]SCHEMBL50663
Database identifiers
- CAS
149820-74-6
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
Physicochemical properties
- FDA UNII
- 614 JI3IYK · P614JI3IYK
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
UsesPrevention of post-recanalization reocclusion of coronary vessels; treatment of unstable angina.
Suppliers5 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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