L-Prolinamide, N-methyl-D-phenylalanyl-N-((1S)-4-((aminoiminomethyl)amino)-1-formylbutyl)-, sulfate (1:1)
Basic information
- CAS
126721-07-1- Standard SMILES
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N.O=S(=O)(O)O- InChIKey
BISKEOIROPAOGY-RXQQAGQTSA-N- Molecular formula
- C21H34N6O7S
- Average molar mass
- 514.6 g/mol
- Monoisotopic mass
- 514.22096862
Names & identifiers
- Preferred name
- L-Prolinamide, N-methyl-D-phenylalanyl-N-((1S)-4-((aminoiminomethyl)amino)-1-formylbutyl)-, sulfate (1:1)
- IUPAC
- (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide;sulfuric acid
- English name
- Methyl-D-Phe-L-Pro-[(S)-4-guanidino-1-formylbutyl]NH2·sulfuric acid
- Molecular formula
- C21H34N6O7S
- Molecular weight
- 514.6
Names & synonyms
EFEGATRAN SULFATE126721-07-1LY294468 sulfateEfegatran sulphateVB4VCH77JVLY-294468 SULFATEDTXSID10155277RefChem:924433DTXCID6077768L-Prolinamide, N-methyl-D-phenylalanyl-N-((1S)-4-((aminoiminomethyl)amino)-1-formylbutyl)-, sulfate (1:1)Efegatran sulfate [USAN]N-Methyl-D-phenylalanyl-N-((1S)-1-formyl-4-guanidinobutyl)-L-prolinamide sulfate (1:1)
Show more names
GYKI-14766Methyl-D-Phe-L-Pro-[(S)-4-guanidino-1-formylbutyl]NH2·sulfuric acid
Efegatran sulfate (USAN)(2S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide;sulfuric acidL-Prolinamide, N-methyl-D-phenylalanyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (S)-, sulfate (1:1)LY 294468 sulfateUNII-VB4VCH77JVEfegatran (sulfate)SCHEMBL564291D-MePhe-Pro-Arg-H.H2SO4
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 683
Physicochemical properties
- FDA UNII
- 4 VCH77JV · VB4VCH77JV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that prevent BLOOD CLOTTING.
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
UsesAntithrombotic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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