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6-Hydroxymelatonin

CAT: 0926-FH24036-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24036-01Size:5 mg
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CAS Number
2208-41-5
Synonyms
N-[2- (6-Hydroxy-5-methoxy-1H-indol-3-yl) ethyl]acetamide
MDL Number
MFCD00037971
Smiles
CC (=O) NCCC1=CNC2=CC (=C (C=C21) OC) O
Molecular Formula
C13H16N2O3
Molecular Weight
248.28 g/mol
Controlled
No

Chemical Information

6-Hydroxymelatonin

6-hydroxymelatonin is a member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. It has a role as a metabolite and a mouse metabolite. It is a member of acetamides and a member of tryptamines. It is functionally related to a melatonin.

CAS Number2208-41-5
PubChem CID1864
IUPAC NameN-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H16N2O3
Molecular Weight248.28
XLogP1.2
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity298
SMILES
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
InChI
InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
InChIKey
OMYMRCXOJJZYKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxymelatonin
CAS: 2208-41-5
CID: 1864
Formula: C13H16N2O3
MW: 248.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.28
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass248.11609238
Monoisotopic Mass248.11609238
Topological Polar Surface Area74.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity298
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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