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Melatonin-d4 - 98%，98atom%D, high purity , CAS No.66521-38-8

COA

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 66521-38-8
Molecular Weight: 236.3
PubChem CID: 12358981
PubChem SID: 504767076

In stock

Item Number

M304327

Grouped product items
SKU	Size	Availability	Price	Qty
M304327-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90
M304327-5mg	5mg	3	$1,333.90

View related series

Apoptosis (4276) Autophagy (1917) Class A GPCR (4138) GPCR/G Protein (3172) Melatonin Receptor (28) Neuronal Signaling (3320)

Basic Description

Synonyms	N-(2-(5-Methoxy-1H-indol-3-yl)ethyl-1,1,2,2-d4)acetamide \| HY-B0075S \| 5-Methoxy-N-acetyltryptamine-d4 \| N-[2-(5-methoxy-1H-indol-3-yl)(1,1,2,2-?H?)ethyl]acetamide \| Melatonin-d4 \| Melatonin D4 \| N-Acetyl-5-methoxytryptamine-alpha,alpha,beta,beta-d4, 98 a
Specifications & Purity	≥98 atom% D,≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Application： Hormone; mediates photoperiodicity in mammals; inhibits cerebellar nitric oxide synthetase; peroxynitrite scavenger. Melatonin has complex effects on apoptotic pathways, inhibiting apoptosis in immune cells and neurons but enhancing apoptotic cell death of cancer cells. Inhibits proliferation/metastasis of breast cancer cells by inhibiting estrogen receptor action.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid amides
        Level6 Acetamides
        Level7 N-acetyl-2-arylethylamines

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides - Acetamides
Direct Parent	N-acetyl-2-arylethylamines
Alternative Parents	3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acetyl-2-arylethylamine - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504767076
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767076
IUPAC Name	N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
INCHI	InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
InChIKey	DRLFMBDRBRZALE-NZLXMSDQSA-N
Smiles	CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Isomeric SMILES	[2H]C([2H])(C1=CNC2=C1C=C(C=C2)OC)C([2H])([2H])NC(=O)C
Molecular Weight	236.3
Reaxy-Rn	205542
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=205542&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
D2319837	Certificate of Analysis	Apr 13, 2023	M304327

Chemical and Physical Properties

Solubility	Chloroform (Slightly), Methanol (Slightly)
Flash Point(°C)	263.951°C
Boil Point(°C)	512.831°C at 760 mmHg
Melt Point(°C)	104-107°C
Molecular Weight	236.300 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	236.146 Da
Monoisotopic Mass	236.146 Da
Topological Polar Surface Area	54.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270.000
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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