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Coelenterazine, native

CAT: 0926-C-7001-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-C-7001-01Size:10 mg
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CAS Number
55779-48-1
Synonyms
2- (p-Hydroxybenzyl) -6- (p-hydroxyphenyl) -8-benzyl-imidazo[1,2-a]pyrazin-3- (7H) -one
MDL Number
MFCD00467176
Smiles
O=C1C (=NC2=C (NC (=CN12) C=3C=CC (O) =CC3) CC=4C=CC=CC4) CC5=CC=C (O) C=C5
Molecular Formula
C26H21N3O3
Molecular Weight
423.48 g/mol
Controlled
No

Chemical Information

Coelenterazine

Oplophorus luciferin is an imidazopyrazine that is imidazo[1,2-a]pyrazin-3(7H)-one in which positions 2, 6, and 8 are substituted by 4-hydroxybenzyl, 4-hydroxyphenyl, and benzyl groups, respectively. It has a role as a luciferin. It is a member of phenols and an imidazopyrazine. It derives from a hydride of an imidazo[1,2-a]pyrazine.

CAS Number55779-48-1
PubChem CID135445694
IUPAC Name8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
Molecular FormulaC26H21N3O3
Molecular Weight423.5
XLogP5.5
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity585
SMILES
C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O
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/h1-13,16,30-32H,14-15H2
InChIKey
LNCOEGVEEQDKGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coelenterazine
CAS: 55779-48-1
CID: 135445694
Formula: C26H21N3O3
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.15829154
Monoisotopic Mass423.15829154
Topological Polar Surface Area90.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity585
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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