Melatonin-d7

CAT: 1596-AR-M03044-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03044-04Size:100 Units

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CAS Number

615251-68-8

API Name

Melatonin

Chemical Information

Melatonin-d7

CAS Number	615251-68-8
PubChem CID	91244073
IUPAC Name	2,2,2-trideuterio-N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular Formula	C13H16N2O2
Molecular Weight	239.32
XLogP	0.8
Topological Polar Surface Area	54.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	270

SMILES

[2H]C([2H])([2H])C(=O)NC([2H])([2H])C([2H])([2H])C1=CNC2=C1C=C(C=C2)OC

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)/i1D3,5D2,6D2

InChIKey

DRLFMBDRBRZALE-FJNYTKNASA-N

Chemical Structure

2D Structure

CAS: 615251-68-8

CID: 91244073

Formula: C13H16N2O2

MW: 239.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.32
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	239.165114979
Monoisotopic Mass	239.165114979
Topological Polar Surface Area	54.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270
Isotope Atom Count	7
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M01281-01	Melatonin
AR-P33051-01	Prostacyclin-d7 (Epoprostenol-d7)
AR-P03142-01	Propranolol-d7 (Naphthalenyl-d7)
AR-M01282-01	Melatonin-d4
AR-M04142-01	Melatonin Dimer
AR-P33037-01	Propranolol-d7 (N-Isopropyl-d7)
AR-M01285-01	6-Hydroxy Melatonin
AR-L06908-01	DL-Leucine-d7 (iso-propyl-d7)
AR-M04144-01	Melatonin Impurity 4
AR-C07316-01	Cholesterol Impurity 16-d7 (Lathosterol-d7)

Catalog	Name
TRC-M215004-10MG	Melatonin-d7
A2842-100	Melatonin