EcoDrugPlus


Synonyms	Nicotinamide ribonucleoside Nicotinamide riboside Ribosylnicotinamide
Status
Molecule Category	Free-form
UNII	0I8H2M0L7N
EPA CompTox	DTXSID501010039

Synonyms

Nicotinamide ribonucleoside

Nicotinamide riboside

Ribosylnicotinamide

Status

Molecule Category

Free-form

UNII

0I8H2M0L7N

EPA CompTox

DTXSID501010039


InChI Key	JLEBZPBDRKPWTD-TURQNECASA-O
Smiles	NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChI	InChI=1S/C11H14N2O5/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)/p+1/t7-,8-,9-,11-/m1/s1

InChI Key

JLEBZPBDRKPWTD-TURQNECASA-O

Smiles

NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

InChI

InChI=1S/C11H14N2O5/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)/p+1/t7-,8-,9-,11-/m1/s1

Property Name	Value
Molecular Formula	C11H15N2O5+
Molecular Weight	255.25
AlogP	-2.32
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	116.89
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C11H15N2O5+

Molecular Weight

255.25

AlogP

-2.32

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

116.89

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	1341-23-7
ChEBI	15927
ChEMBL	CHEMBL438497
DrugBank	DB14933
FDA SRS	0I8H2M0L7N
Human Metabolome Database	HMDB0000855
KEGG	C03150
PDB	NNR
PubChem	439924
SureChEMBL	SCHEMBL938611
ZINC	ZINC000004096036

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PDB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

NICOTINAMIDE RIBOSIDE

Structure

Physicochemical Descriptors

Cross References