ChemSpider 2D Image | felypressin | C46H65N13O11S2


  • Molecular FormulaC46H65N13O11S2
  • Average mass1040.219 Da
  • Monoisotopic mass1039.436768 Da
  • ChemSpider ID16736539
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source

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

1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-lysylgly cinamid [German] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-lysylgly cinamide [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-13,16-dibenzyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-lysylgly cinamide [French] [ACD/IUPAC Name]
200-282-7 [EINECS]
56-59-7 [RN]
felipresina [Spanish] [INN]
felypressin [INN] [Wiki]
  • Miscellaneous
    • Chemical Class:

      A synthetic nonapeptide comprising cysteinyl, phenylalanyl, phenylalanyl, glutaminyl, asparaginyl, cysteinyl, prolyl, lysyl, and glycinamide residues in sequence, with a disulfide bridge joining the t wo cysteine residues. Its antidiuretic effects are less than those of vasopressin. It is used as a vasoconstrictor in local anaesthetic injections for dental use, and is an ingredient of preparations that have been used for treatment of pain and inflammation of the mouth. ChEBI CHEBI:60564,

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1571.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 246.5±3.0 kJ/mol
Flash Point: 904.1±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 266.5±0.3 cm3
#H bond acceptors: 24
#H bond donors: 17
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -5.00
ACD/LogD (pH 5.5): -8.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 456 Å2
Polarizability: 105.6±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 807.3±3.0 cm3

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