chempirical

Coelenterazine

C26H21N3O3CAS 55779-48-1423.47 g/mol

Open in Covalent MOL file
OHONNHOHN
Phenol

Properties

Molecular formula
C26H21N3O3
Molar mass
423.47 g/mol
Exact mass
423.1583 Da
Melting point
176–181 °C (decomposes)
logP
4.26Crippen estimate
Polar surface area
91.1 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
55779-48-1
SMILES
O=c1c(Cc2ccc(O)cc2)nc2c(Cc3ccccc3)[nH]c(-c3ccc(O)cc3)cn1-2
InChIKey
YHIPILPTUVMWQT-UHFFFAOYSA-N
InChI
InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,27,30-31H,14-15H2

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Names and synonyms

12 names
  • Imidazo[1,2-a]pyrazin-3(7H)-one, 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-
  • 6-(4-Hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
  • Preluciferin
  • Preluciferin (watasenia)
  • Luciferin (oplophorus)
  • Luciferin
  • Coelenterazin
  • NanoFuel
  • Watasenia preluciferin
  • Coelenterazine ntv
  • Native coelenterazine
  • Coelenterazine luciferin

Work with Coelenterazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Benzylphenol101-53-139 % similar Coelenteramine37156-84-639 % similar 3,9-Dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione2879-15-431 % similar Bisphenol F620-92-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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