Nicotinamide-d4

CAT: 1596-AR-N08598-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-N08598-02Size:25 Units

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CAS Number

347841-88-7

Synonyms

Nicotinamide-2,4,5,6-d4

Molecular Formula

C32H33N9O7

Molecular Weight

126.15

API Name

Nicotinamide

Chemical Information

(~2~H_4_)Pyridine-3-carboxamide

CAS Number	347841-88-7
PubChem CID	15554909
IUPAC Name	2,4,5,6-tetradeuteriopyridine-3-carboxamide
Molecular Formula	C6H6N2O
Molecular Weight	126.15
XLogP	-0.4
Topological Polar Surface Area	56
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	114

SMILES

[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)N)[2H]

InChI

InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)/i1D,2D,3D,4D

InChIKey

DFPAKSUCGFBDDF-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 347841-88-7

CID: 15554909

Formula: C6H6N2O

MW: 126.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.15
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.073119803
Monoisotopic Mass	126.073119803
Topological Polar Surface Area	56 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114
Isotope Atom Count	4
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-N08586-01	Nicotinamide Adenine Dinucleotide-d4
AR-N08579-01	Beta-Nicotinamide Mononucleotide-d4
AR-N01440-01	Nicotinamide Adenine Dinucleotide-d4
AR-N08599-01	Nicotinamide Riboside-d4 Triflate
AR-N01422-01	Nicotinamide
AR-N08585-01	Nicotinamide Metabolite
AR-N01447-01	Nicotinamide metabolite
AR-C07091-01	Chidamide-d4 (Tucidinostat-d4)
AR-S09773-01	Sacubitrilat-d4 (LBQ657-d4)
AR-C01097-01	Calcipotriol-d4 (Calcipotriene-d4)

Catalog	Name
C04712-1mg	Nicotinamide-d4
018096	Nicotinamide-d4 (Major)
CS-O-51725	Nicotinamide Riboside-D4
469744-01	β-Nicotinamide-d4 Mononucleotide (d4-major)
TRC-N407768-1MG	Beta-Nicotinamide-d4 Mononucleotide (d4-major)
TRC-N407762-50MG	Nicotinamide-d4 N-Oxide (d4 Major)
HY-W767484	Nicotinamide riboside-d4 (triflate)
018098	Nicotinamide-d4 N-Oxide
CS-O-44691	Nicotinamide mononucleotide (NMN) -D4
HY-W701397-01	Nicotinamide N-oxide-d4