Molecular Structure of Tirofiban hydrochloride monohydrate (CAS NO.150915-40-5):

IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrate hydrochloride 
Empirical Formula: C₂₂H₃₉ClN₂O₆S
Molecular Weight: 495.0729
H bond acceptors: 7
H bond donors: 3
Freely Rotating Bonds: 13
Polar Surface Area: 84.53 Å²
Flash Point: 323.7 °C
Enthalpy of Vaporization: 95.49 kJ/mol
Boiling Point: 611.7 °C at 760 mmHg
Vapour Pressure: 8.09E-16 mmHg at 25°C
Melting point: 135-137°C
Product Categories: Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals
InChI
InChI=1/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
Smiles
c1c(C[C@@H](C(O)=O)NS(CCCC)(=O)=O)ccc(c1)OCCCCC1CCNCC1.Cl.O

  Tirofiban hydrochloride monohydrate , with CAS number of 150915-40-5, can be called L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, monohydrochloride, monohydrate ; N-(Butylsulfonyl)-4-(4-(4-piperidyl)butoxy)-L-phenylalanine monohydrochloride monohydrate ; Tirofiban HCl ; Tirofiban hydrochloride . It is a white solid, used as specific nonpeptide platelet fibrinogen receptor (GPIIb/IIIa) antagonist and used in the treatment of unstable angina.