Tirofiban-d9 Hydrochloride
Basic information
- CAS
1331911-68-2- Standard SMILES
Cl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O- InChIKey
KPKFFYOMPGOQRP-MDIJXIJDSA-N- Molecular formula
- C22H37ClN2O5S
- Average molar mass
- 486.1 g/mol
- Monoisotopic mass
- 485.2676619
Names & identifiers
- Preferred name
- Tirofiban-d9 Hydrochloride
- IUPAC
- (2S)-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrochloride
- English name
- Tirofiban-d9 Hydrochloride
- Molecular formula
- C22H37ClN2O5S
- Molecular weight
- 477.05758
Names & synonyms
Tirofiban-d9 Hydrochloride1331911-68-2Tirofiban-d9 (hydrochloride)(2S)-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrochlorideDTXSID60662209HY-17369ASDA-68206CS-0200899N-[(~2~H_9_)Butane-1-sulfonyl]-O-[4-(piperidin-4-yl)butyl]-L-tyrosine--hydrogen chloride (1/1)Tivozanib 13CD3KPKFFYOMPGOQRP-MDIJXIJDSA-NTIROFIBAN-BUTYL-D9, HYDROCHLORIDE
Show more names
N-(Butyl-d9-sulfonyl)-O-[4-(4-piperidynyl)butyl]-L-tyrosine, Hydrochloride(2S)-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
Database identifiers
- CAS
1331911-68-2
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesLabeled Tirofiban, a specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist. An antithrombotic used in the treatment of unstable angina
UsesLabelled Tirofiban, a specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist. An antithrombotic used in the treatment of unstable angina.
UsesLabelled Tirofiban (T446750)(Tirofiban-d9 Hydrochloride), Tirofiban is a specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist. Tirofiban is an antithrombotic used in the treatment of unstable angina.
Related reactions
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Compound notes
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