ChemSpider 2D Image | Desmopressin | C46H64N14O12S2

Desmopressin

  • Molecular FormulaC46H64N14O12S2
  • Average mass1069.217 Da
  • Monoisotopic mass1068.427002 Da
  • ChemSpider ID4470602
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

1-(3-mercaptopropionic acid)-8-D-arginine-vasopressin
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamid [German] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide [French] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide
1-Deamino-8-D-arginine vasopressin
1-Desamino-8-D-arginine vasopressin
3799
DDAVP [Trade name]
desmopresina [Spanish] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A synthetic analogue of vasopressin in which 3-mercaptopropionic acid replaces the cysteine residue at position 1 and <stereo>D</stereo>-arginine replaces the residue at position 8. An antidiuretic, i t increases urine concentration and decreases urine production, and is used (usually as the trihydrate of the acetic acid salt) to prevent and control excessive thirst, urination, and dehydration caus ed by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. ChEBI CHEBI:4450
    • Drug Status:

      approved BIONET-Key Organics HS-2010
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3396
      Peptide Receptors Tocris Bioscience 3396
      Synthetic vasopressin analog that acts as an agonist at V1B and V2 receptors (EC50 values are 11.4 and 23.9 nM and Ki values are 5.84 and 65.9 nM respectively). Prevents polycystic kidney disease form ation and exhibits antidiuretic, antiproliferative, hemostatic and hypotensive activity in vivo. Tocris Bioscience 3396
      Synthetic vasopressin analog that acts as an agonist at V1B and V2 receptors (EC50 values are 11.4 and 23.9 nM and Ki values are 5.84 and 65.9 nM respectively). Prevents polycystic kidney disease formation and exhibits antidiuretic, antiproliferative, hemostatic and hypotensive activity in vivo. Tocris Bioscience 3396
      Synthetic vasopressin analog; V1B and V2 agonist Tocris Bioscience 3396
      Vasopressin Receptors Tocris Bioscience 3396

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 268.2±0.5 cm3
#H bond acceptors: 26
#H bond donors: 18
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -5.82
ACD/LogD (pH 5.5): -7.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 486 Å2
Polarizability: 106.3±0.5 10-24cm3
Surface Tension: 74.0±7.0 dyne/cm
Molar Volume: 684.0±7.0 cm3

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