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Tirofiban-[d9] Hydrochloride

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General Information
Catalog: BLP-007462
CAS: 1331911-68-2
Molecular Formula: C22H28D9ClN2O5S
Molecular Weight: 486.11

Chemical Structure

Description	Tirofiban-[d9] Hydrochloride is the labelled hydrochloride form of Tirofiban. Tirofiban is a nonpeptide tyrosine derivative. It is used as an antiplatelet drug in the class of glycoprotein IIb/IIIa inhibitors.
Synonyms	N-[(Butyl-d9)sulfonyl]-O-[4-(4-piperidynyl)butyl]-L-tyrosine Hydrochloride; N-[(Butyl-d9-sulfonyl)]-O-[4-(4-piperidinyl)butyl]-L-tyrosine Monohydrochloride
IUPAC Name	(2S)-2-(1,1,2,2,3,3,4,4,4-nonadeuteriobutylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrochloride
Related CAS	142373-60-2 (unlabelled) 1332075-40-7 (free base)
Isomeric SMILES	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.Cl
Canonical SMILES	CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.Cl
InChI	InChI=1S/C22H36N2O5S.ClH/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H/t21-;/m0./s1/i1D3,2D2,3D2,16D2;
InChI Key	KPKFFYOMPGOQRP-MDIJXIJDSA-N
Purity	>98%
Appearance	White Solid