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6-Hydroxy Melatonin-d4

CAT: 1596-AR-M01286-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01286-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69533-61-5
Synonyms
N- (2- (6-hydroxy-5-methoxy-1H-indol-3-yl) ethyl) acetamide-D4; N-[2- (6-Hydroxy-5-methoxy-1H-indol-3-yl) ethyl]acetamide-d4; 6-Hydroxy-N-acetyl-5-methoxytryptamine-d4
Molecular Formula
C13H12N2O3D4
Molecular Weight
252.31
API Name
Melatonin

Chemical Information

6-Hydroxy Melatonin-d4
CAS Number69533-61-5
PubChem CID71749111
IUPAC NameN-[1,1,2,2-tetradeuterio-2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H16N2O3
Molecular Weight252.30
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
[2H]C([2H])(C1=CNC2=CC(=C(C=C21)OC)O)C([2H])([2H])NC(=O)C
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)/i3D2,4D2
InChIKey
OMYMRCXOJJZYKE-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy Melatonin-d4
CAS: 69533-61-5
CID: 71749111
Formula: C13H16N2O3
MW: 252.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.30
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass252.14119936
Monoisotopic Mass252.14119936
Topological Polar Surface Area74.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity298
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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AR-L07690-016-Hydroxy Desloratadine-d4
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AR-M04146-01Melatonin USP Related Compound A-d4

Alternative Products

CatalogName
HY-132425S6-Hydroxy Melatonin-d4
TRC-H944627-1MG6-Hydroxy Melatonin-d4 (Major)
TRC-H944625-5MG6-Hydroxy Melatonin
TMIJ-0262-016-Sulfatoxy Melatonin-d4
CS-A-000146-Hydroxy Melatonin Sulfate
HY-142117S6-Sulfatoxy Melatonin-d4 (sodium)
sc-4744406-Sulfatoxy Melatonin-d4 Sodium
CS-T-1032666-Hydroxy Desloratadine-d4
TRC-H948552-25MG6-Hydroxy Nicorandil-d4
0135906α-Hydroxy Cortisol-d4

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