ChemSpider 2D Image | 5733 | C66H86N18O12


  • Molecular FormulaC66H86N18O12
  • Average mass1323.502 Da
  • Monoisotopic mass1322.667236 Da
  • ChemSpider ID10482012
  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-ethyl-L-prolinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-séryl-L-tyrosyl-1-benzyl-D-histidyl-L-leucyl-L-arginyl-N-éthyl-L-prolinamide [French] [ACD/IUPAC Name]
6-(1-(Phenylmethyl)-D-histidine)-9-(N-ethyl-L-prolinamide)-10-deglycinamideluteinizing hormone-releasing fFactor
76712-82-8 [RN]
Histrelin acetate

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

H50H3S3W74 [DBID]
BRN 4290557 [DBID]
ORF 17070 [DBID]
RWJ 17070 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, 1-benzyl-<stereo>D</stereo>-histidyl, leucyl, arginyl, and <element>N</element>-ethylprolinamide residues joined in seque nce. It is a synthetic nonapeptide analogue of gonadotropin-releasing hormone, and is used as a subcutaneous hydrogel implant (particularly as the diacetate salt) for the treatment of prostate cancer and for the suppression of gonadal sex hormone production in children with central precocious puberty. ChEBI CHEBI:5739

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.701
Molar Refractivity: 350.5±0.5 cm3
#H bond acceptors: 30
#H bond donors: 17
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 447 Å2
Polarizability: 139.0±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 906.4±7.0 cm3

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