AG01DJ4H

23111-00-4 | 3-Carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride

AG01DJ4H

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CAS Number	23111-00-4
Catalog Number	AG01DJ4H
Chemical Name	3-Carbamoyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride
EC Number	807-820-5
IUPAC Name	1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride
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
InChI Key	YABIFCKURFRPPO-IVOJBTPCSA-N
MDL Number	MFCD27952781
Molecular Formula	C11H15ClN2O5
Molecular Weight	290.7002
SMILES	[Cl-].NC(=O)C=1C=[N+](C=CC1)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO
Synonyms	Nicotinamide riboside chloride, 23111-00-4, 3-Carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride, Nicotinamide ribose chloride, UNII-8XM2XT8VWI, 8XM2XT8VWI, SCHEMBL17315043, MFCD27952781, ACN-055520, AC-29830, Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, chloride, Pyridinium, 3-(aminocarbonyl)-1--D-ribofuranosyl-, chloride (1:1), Pyridinium, 3-(aminocarbonyl)-1-beta-D-ribofuranosyl-, chloride,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	290.067g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	290.7g/mol
Monoisotopic Mass	290.067g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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