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6-Sulfatoxy Melatonin-d4

CAT: 1596-AR-M01283-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01283-01Size:10 Units
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CAS Number
1309935-98-5
Synonyms
3- (2-acetamidoethyl) -5-methoxy-1H-indole-6-sulfonicacid-D4; N-[2-[5-Methoxy-6- (sulfooxy) -1H-indol-3-yl]ethyl]acetamide-d4 Sodium Salt; 6- (Sulfonyloxy) melatonin-d4 Sodium Salt; 6-Hydroxymelatonin-d4 Sulfate Sodium Salt; 6-Sulphatoxymelatonin-d4 Sodium Salt
Molecular Formula
C13H12N2O6SD4
Molecular Weight
332.37
API Name
Melatonin

Chemical Information

6-Sulfatoxy Melatonin-d4
CAS Number1309935-98-5
PubChem CID71752258
IUPAC Name[3-(2-acetamido-1,1,2,2-tetradeuterioethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate
Molecular FormulaC13H16N2O6S
Molecular Weight332.37
XLogP0.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity491
SMILES
[2H]C([2H])(C1=CNC2=CC(=C(C=C21)OC)OS(=O)(=O)O)C([2H])([2H])NC(=O)C
InChI
InChI=1S/C13H16N2O6S/c1-8(16)14-4-3-9-7-15-11-6-13(21-22(17,18)19)12(20-2)5-10(9)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)(H,17,18,19)/i3D2,4D2
InChIKey
QQEILXDLZRLTME-KHORGVISSA-N
Chemical Structure
2D Structure
2D structure of 6-Sulfatoxy Melatonin-d4
CAS: 1309935-98-5
CID: 71752258
Formula: C13H16N2O6S
MW: 332.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.37
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass332.09801439
Monoisotopic Mass332.09801439
Topological Polar Surface Area126 Ų
Heavy Atom Count22
Formal Charge0
Complexity491
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

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Alternative Products

CatalogName
TMIJ-0262-016-Sulfatoxy Melatonin-d4
sc-4744406-Sulfatoxy Melatonin-d4 Sodium
HY-142117S6-Sulfatoxy Melatonin-d4 (sodium)
TRC-S689052-0.5MG6-Sulfatoxy Melatonin-d4 (Major) Sodium Salt
QY-E05721Human 6-Sulfatoxy Melatonin
FS27945-016-Sulfatoxy melatonin sodium salt
HY-132425S6-Hydroxy Melatonin-d4
TRC-H944627-1MG6-Hydroxy Melatonin-d4 (Major)
TRC-H944625-5MG6-Hydroxy Melatonin
CS-A-000146-Hydroxy Melatonin Sulfate

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