AG0034IM

53-84-9 | beta-Nicotinamide Adenine Dinucleotide

AG0034IM

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CAS Number	53-84-9
Catalog Number	AG0034IM(AGN-PC-0SG3NR)
Chemical Name	beta-Nicotinamide Adenine Dinucleotide
EC Number	200-184-4
IUPAC Name	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI	InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChI Key	BAWFJGJZGIEFAR-NNYOXOHSSA-N
MDL Number	MFCD00150381
Molecular Formula	C21H27N7O14P2
Molecular Weight	663.4251
NSC Number	757121
SMILES	NC1=C2N=CN(C2=NC=N1)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)[N+]1=CC(=CC=C1)C(N)=O)O)O)O)O
Synonyms	Adenine Dinucleotide, Dihydronicotinamide, Coenzyme I, Dihydronicotinamide Adenine Dinucleotide, Dinucleotide, Dihydronicotinamide Adenine, Dinucleotide, Nicotinamide-Adenine, Diphosphopyridine Nucleotide, DPN, NAD, NADH, Nadide, Nicotinamide Adenine Dinucleotide, Nicotinamide-Adenine Dinucleotide, Nucleotide, Diphosphopyridine, nadide, NAD+, coenzyme I, 53-84-9, beta-NAD, diphosphopyridine nucleotide, beta-NAD+, beta-Diphosphopyridine nucleotide, Enzopride, nicotinamide adenine dinucleotide, Codehydrase I, Cozymase I, Codehydrogenase I, NAD, beta-nicotinamide adenine dinucleotide, CO-1, CO-I, COZYMASE, Nadidum [INN-Latin], Nadida [INN-Spanish], beta-DPN, Pyridine, nucleotide diphosphate, Nicotinamide-adenine dinucleotide, NAD zwitterion, Nicotinamide dinucleotide, Adenine-nicotinamide dinucleotide, NAD+, Free Acid, Nadide [USAN:INN:BAN:JAN], Nicotinamide-Adenine-Dinucleotide, Coenzyme 1, Oxidized diphosphopyridine nucleotide, EINECS 200-184-4, MFCD00036253, NSC 20272, BRN 3584133, CHEBI:44215, BAWFJGJZGIEFAR-NNYOXOHSSA-N, C21H27N7O14P2, UNII-0U46U6E8UK, 3-Carbamoyl-1-beta-D-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt, DPN-ox, beta-Nicotinamide adenine dinucleotide hydrate, Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, nicotinamide adenine dinucleotide oxidized, DPN+, Nadidum, Nadida, 0U46U6E8UK, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate, Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, hydroxide, inner salt, Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt, diphosphopyridine nucleotide oxidized, NSC20272, CAS-53-84-9, Cozymase, DPN, NCGC00016240-01, bet.-DPN, bet.-NAD, b-NAD, oxidised form, C-NAD, beta-NAD, oxidised form, 3-carbamoylpyridin-1-ium, Carbonyl [14C] NAD+, EC 200-184-4, AC1L1LD0, NAD, Grade I, free acid, [adenylate-32-P]-NAD+, DSSTox_CID_25236, DSSTox_RID_80768, NAD, Grade II, free acid, DSSTox_GSID_45236, 5-26-16-00399 (Beilstein Handbook Reference), SCHEMBL131544, SPECTRUM1500419, beta-Diphosphopyridinenucleotide, GTPL2451, CHEMBL1234613, DTXSID2045236, CTK8B3792, HMS500J11, Nicotinamide Adinine Dinucleotide, [14C] NAD+, [32P] NAD+, b-Nicotinamide adenine dinucleotide, BDBM213227, HMS2091H06, HMS2097E04, HMS3714E04, Pharmakon1600-01500419, BCP21324, HY-B0445, Diphosphopyridine nucleotide (DPN+), Tox21_110321, 6614AF, ANW-43201, CCG-40114, NSC757121, s2518, AKOS015892319, beta-nicotinamide adenine din-ucleotide, CM11026, CS-2554, NSC-757121, .beta.-Nicotinamide adenine dinucleotide, Nicotinamide adenine dinucleotide (NAD), NCGC00178839-01, NCGC00178839-02, AS-14652, M041, SBI-0051451.P003, AB2000620, LS-132322, TR-019029, AB00513910, D0919, A11679, beta-Nicotinamide adenine dinucleotide, reduced, N-2550, AB00052048_03, b-Nicotinamide adenine dinucleotide hydrate (NAD), I02-6267, Nicotinamide adenine dinucleotideNAD+mono sodium salt, beta-Nicotinamide adenine dinucleotide hydrate, >=99%, F45C0D6C-DA87-47BE-9975-7A5DE9CCB985, beta-Nicotinamide adenine dinucleotide hydrate, >=95% (HPLC), beta-Nicotinamide adenine dinucleotide, pkg of 10 mg (per vial), beta-Nicotinamide adenine dinucleotide, pkg of 20 mg (per vial), beta-Nicotinamide adenine dinucleotide, pkg of 50 mg (per vial), beta-Nicotinamide adenine dinucleotide hydrate, >=98%, BioUltra, from yeast, beta-Nicotinamide adenine dinucleotide hydrate, Grade AA-1, >=95% (HPLC), beta-Nicotinamide adenine dinucleotide hydrate, purified by column chromatography, >=99%, beta-Nicotinamide adenine dinucleotide hydrate, Vetec(TM) reagent grade, >=96.5%, [(3S,2R,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3S,2R,4R,5R)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl)hydrogen phosphate, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate, 1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-, Adenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt, Adenosine 5'-(trihydrogen diphosphate-P-32P), P'>5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt (9CI), adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}, beta-Nicotinamide adenine dinucleotide hydrate, >=96.5% (HPLC), >=96.5% (spectrophotometric assay), from yeast, beta-Nicotinamide adenine dinucleotide hydrate, cell culture tested, >=96.5% (HPLC), >=96.5% (spectrophotometric assay), from yeast, beta-Nicotinamide adenine dinucleotide hydrate, PharmaGrade, Manufactured under appropriate controls for use as a raw material in pharma or biopharmaceutical production., beta-Nicotinamide adenine dinucleotide hydrate, Suitable for manufacturing of diagnostic kits and reagents, Pyridinium, 3-carbamoyl-1-b-D-ribofuranosyl-, hydroxide, 5'-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8CI), codehydrogenase, null, nicotinamide adenine, |A-nad, NADH, Co I, D0M3KZ, Nicotineamide adenine dinucleotide, Nucleotide, Diphosphopyridine, Nadide [USAN:BAN:INN:JAN], CID5892, -Nicotinamide adenine dinucleotide, Dinucleotide, Nicotinamide-Adenine, 3-acetylpyridine adenine dinucleotide, ACN-037789, dihydronicotinamide adenine dinucleotide, DPN, Adenine Dinucleotide, Dihydronicotinamide, C21-H27-N7-O14-P2, Dinucleotide, Dihydronicotinamide Adenine, |A-DPN; |A-NAD; Coenzyme 1; Nadide, D009243, beta-Nicotinamide adenine dinucleotide, 98% - 1G 1g, beta-nicotinamide adenine dinucleotide(Coenzyme-I pound notbeta-NAD+), Nicotinamide Adenine Dinucleotide 95% (Nad, Dpn) for biochemistry 100mg, A3D, Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt, Adenosine 5'-(trihydrogen diphosphate), P'.fwdarw.5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt, Adenosine 5'-(trihydrogen diphosphate), P'?5'-ester with 3-(aminocarbonyl)-1-.beta.-D-ribofuranosylpyridinium, inner salt, NAH,

Complexity	1120
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Exact Mass	663.109g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	18
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	663.43g/mol
Monoisotopic Mass	663.109g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	321A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number