chempirical

Nicotinamide riboside chloride

C11H15ClN2O5CAS 23111-00-4290.70 g/mol

Open in Covalent MOL file
HClHNO−N+OOHOHHO
AlcoholEtherImine

Properties

Molecular formula
C11H15ClN2O5
Molar mass
290.70 g/mol
Exact mass
290.0669 Da
logP
-2.31Crippen estimate
Polar surface area
120.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
3
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
23111-00-4
SMILES
Cl.N=C([O-])c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChIKey
YABIFCKURFRPPO-IVOJBTPCSA-N
InChI
InChI=1S/C11H14N2O5.ClH/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);1H/t7-,8-,9-,11-;/m1./s1

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Names and synonyms

4 names
  • Pyridinium, 3-(aminocarbonyl)-1-β-D-ribofuranosyl-, chloride (1:1)
  • Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, chloride
  • Pyridinium, 3-(aminocarbonyl)-1-β-D-ribofuranosyl-, chloride
  • N-Ribosylnicotinamide chloride

Work with Nicotinamide riboside chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nicotinamide riboside1341-23-769 % similar Nicotinamide mononucleotide1094-61-750 % similar Thio-nad4090-29-336 % similar Nicotinamide adenine dinucleotide53-84-935 % similar Cytarabine hydrochloride69-74-933 % similar Phenyl β-D-glucopyranoside1464-44-433 % similar Phenyl β-D-galactopyranoside2818-58-833 % similar Phenyl α-D-glucopyranoside4630-62-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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