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Basic information
- CAS
170094-62-9- Standard SMILES
CCOC(=O)COC1CCN(C(=O)[C@H](C)NC(=O)c2ccc(/C(N)=N/O)cc2)CC1- InChIKey
WBNUCLPUOSXSNJ-ZDUSSCGKSA-N- Molecular formula
- C20H28N4O6
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.20088463
Names & identifiers
- Preferred name
- Acetic acid, ((1-((2S)-2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester
- IUPAC
- ethyl 2-[1-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate
Names & synonyms
SibrafibanRo-48-3657170094-62-9Ro 48-3657/001YUE443B0NFRO-48-3657/001Ro-483657001Acetic acid, ((1-((2S)-2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl esterAcetic acid, ((1-(2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester, (S)-Acetic acid, ((1-(2-((4-(amino(hydroxyimino)methyl)benzoylamino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester, (S-(Z))-sibrafibanumRefChem:914961
Show more names
Acetic acid, 2-((1-((2S)-2-((4-((hydroxyamino)iminomethyl)benzoyl)amino)-1-oxopropyl)-4-piperidinyl)oxy)-, ethyl ester172927-65-0Sibrafiban [INN]Sibrafiban [USAN]Sibrafiban [MART.]Sibrafiban [USAN:INN:BAN]Sibrafiban [WHO-DD]Ro 48-3657
Database identifiers
- CAS
170094-62-9、172927-65-0- PubChem CID
- 9577986
- ChEMBL
CHEMBL435176
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
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.
Related reactions
2 records
Compound notes
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