Tirofiban Hydrochloride Hydrate

Analyte Name

Tirofiban, Hydrochloride Hydrate

CAS Number

150915-40-5

Molecular Formula

C22 H36 N2 O5 S . Cl H . H2 O

Molecular Weight

495.07

Accurate Mass

494.2217

SMILES

O.Cl.CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O

InChI

InChI=1S/C22H36N2O5S.ClH.H2O/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;1H2/t21-;;/m0../s1

IUPAC

(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride

Alternate CAS Number

Free base: 144494-65-5

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Tirofiban

Purity

>95% (HPLC)