ChemSpider 2D Image | ciraparantag | C22H48N12O2

ciraparantag

  • Molecular FormulaC22H48N12O2
  • Average mass512.696 Da
  • Monoisotopic mass512.402344 Da
  • ChemSpider ID33427375
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S,2'S)-N,N'-(1,4-Piperazindiyldi-3,1-propandiyl)bis(2-amino-5-carbamimidamidopentanamid) (non-preferred name) [German] [ACD/IUPAC Name]
(2S,2'S)-N,N'-(1,4-Piperazinediyldi-3,1-propanediyl)bis(2-amino-5-carbamimidamidopentanamide) (non-preferred name) [ACD/IUPAC Name]
(2S,2'S)-N,N'-(1,4-Pipérazinediyldi-3,1-propanediyl)bis(2-amino-5-carbamimidamidopentanamide) (non-preferred name) [French] [ACD/IUPAC Name]
10164
1438492-26-2 [RN]
ciraparantag [INN] [USAN]
ciraparantag [Spanish] [INN]
ciraparantag [French] [INN]
ciraparantagum [Latin] [INN]
Pentanamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis[2-amino-5-[(aminoiminomethyl)amino]-, (2S,2'S)- [ACD/Index Name]
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  • Miscellaneous
    • Bio Activity:

      Ciraparantag is a thrombin and factor Xa inhibitors as well as to heparin-based anticoagulants through non-covalent hydrogen bonding and charge interactions. It is reported to antagonize the effects of all coagulants except VKAs and agratroban. [1][2] MedChem Express HY-18660

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 134.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 14
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.10
ACD/LogD (pH 5.5): -11.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 62.7±7.0 dyne/cm
Molar Volume: 373.4±7.0 cm3

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