ChemSpider 2D Image | Tirofiban hydrochloride | C22H39ClN2O6S

Tirofiban hydrochloride

  • Molecular FormulaC22H39ClN2O6S
  • Average mass495.073 Da
  • Monoisotopic mass494.221741 Da
  • ChemSpider ID10718385

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Chlorure d'hydrogène - N-(butylsulfonyl)-O-[4-(4-pipéridinyl)butyl]tyrosine, hydrate (1:1:1:1) [French] [ACD/IUPAC Name]
Hydrogen chloride - N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosine hydrate (1:1:1:1) [ACD/IUPAC Name]
Hydrogen chloride N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosine hydrate (1:1:1:1) [ACD/IUPAC Name]
Hydrogenchlorid --N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosinhydrat (1:1:1:1) [German] [ACD/IUPAC Name]
Hydrogenchlorid-N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosinhydrat (1:1:1:1) [German] [ACD/IUPAC Name]
N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosine hydrochloride hydrate [ACD/IUPAC Name]
N-(Butylsulfonyl)-O-[4-(4-pipéridinyl)butyl]tyrosine, chlorhydrate, hydrate [French] [ACD/IUPAC Name]
N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]tyrosinhydrochloridhydrat [German] [ACD/IUPAC Name]
Tirofiban hydrochloride [USAN]
Tyrosine, N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-, chloride, hydrogen salt, hydrate (1:1:1) [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01029 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 681.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 105.0±0.0 kJ/mol
Flash Point: 366.0±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

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