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AG00734F

Name: Xanthinol nicotinate
Brand: Angene Chemical
SKU: AG00734F

437-74-1 | Xanthinol nicotinate

Chemical structure of Xanthinol nicotinate, CAS 437-74-1

AG00734F

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CAS Number	437-74-1
Catalog Number	AG00734F(AGN-PC-0RRZLV)
Chemical Name	Xanthinol nicotinate
EC Number	207-115-7
IUPAC Name	7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
InChI	InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
InChI Key	GEPMAHVDJHFBJI-UHFFFAOYSA-N
MDL Number	MFCD00058342
Molecular Formula	C19H26N6O6
Molecular Weight	434.4463
NSC Number	113217
SMILES	N1=CC(=CC=C1)C(=O)O.OC(CN1C=NC=2N(C(N(C(C12)=O)C)=O)C)CN(C)CCO
Synonyms	Complamin, Complamine, Komplamin, Niacinate, Xanthinol, Nicotinate, Xanthinol, Nicotinate, Xantinol, Sadamin, Sadamine, Teonicol, Xanthinol Niacinate, Xanthinol Nicotinate, Xantinol Nicotinate, Xantinol-nicotinat-ratiopharm, Xavin, Xanthinol nicotinate, XANTHINOL NIACINATE, 437-74-1, Xantinol nicotinate, Complamin, Angioamin, Complamex, Contamex, Landrina, Sadamine, Stenalgil, Teonicol, Xanidil, Vedrin, Complamin retard, Angiomin, Sadamin, Xavin, SK 331 A, Xanthinolium nicotinicum, Xanthinol niacinate [USAN], Xantinolo nicotinato [DCIT], Xantinoli nicotinas [INN-Latin], EINECS 207-115-7, Nicotinate de xantinol [INN-French], Nicotinato de xantinol [INN-Spanish], Methoxylin, compd. with nicotinic acid, NSC 113217, Xanthinol niacinate (USAN), MLS000028609, SK 331A, NSC113217, NCGC00021151-02, SMR000058741, 7-(3-(N-(2-Hydroxyethyl)amino)-2-hydroxypropyl)thiophylline nicotinate, 7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline compd. with nicotinic acid, 7- 2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl theophylline, compound with nicotinic acid (1:1), C19H26N6O6, Xantinoli nicotinas, 3-Pyridinecarboxylic acid compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione (1:1), 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione; nicotinic acid, 7-{2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl}theophylline, compound with nicotinic acid (1:1), Nicotinic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl) methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione, Nicotinic acid, compd. with 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline (1:1), Xantinolo nicotinato, Nicotinate de xantinol, Nicotinato de xantinol, sk 331-a, Complamine, Komplamin, Complamin (TN), 7-(2-hydroxy-3-((2-hydroxyethyl)(methyl)amino)propyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione nicotinate, 7-[2-Hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline, compound with nicotinic acid (1:1), 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid, C13H21N5O4.C6H5NO2, Opera_ID_260, AC1Q5UAY, niacin xanthinol niacinate, DSSTox_CID_3743, Xantinol Nicotinate ,(S), Xantinol nicotinate [INN], AC1L1U3H, DSSTox_RID_77178, DSSTox_GSID_23743, MLS001148608, MLS001424204, MLS006010909, ARONIS24311, SCHEMBL121655, CHEMBL1560089, DTXSID0023743, BBC/467, HMS2052E09, HMS2230J12, HMS3371O12, HMS3394E09, ZX-AS004671, Tox21_110866, MFCD00058342, SBB080746, AKOS005267237, API0004619, CCG-101097, NC00347, NSC-113217, NCGC00164435-01, AN-44884, AS-11613, BC681140, CAS-437-74-1, CPD000058741, LS-96554, SAM001246912, SC-18608, FT-0603393, D06334, J10010, C-22290, SR-01000000242, SR-01000000242-4, 3-Pyridinecarboxylic acid compd. with 3,3-dimethyl-1H-purine-2,6-dione (1:1), {7-[2-Hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline,} compound with nicotinic acid (1:1), 3-Pyridinecarboxylic acid & {3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1H-purine-2,6-dione (1:1), 3-Pyridinecarboxylic acid, compd. with 3, {7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,} 3-dimethyl-1H-purine-2,6-dione (1:1), 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione (1:1), 3-Pyridinecarboxylic acid,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione (1:1), 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione; pyridine-3-carboxylic acid, 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; pyridine-3-carboxylic acid, 7-{2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl}-1,3-dimethyl-1,3,7-trihydr opurine-2,6-dione, pyridine-3-carboxylic acid, Nicotinic acid compound with 7-(2-hydroxy-3-((2-hydroxyethyl)(methyl)amino)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1), Nicotinic acid, compd. with {7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline} (1:1), Nicotinic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione, Nicotinic acid, compd. with 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline(1:1), Nicotinic acid, compd. with 7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline(1:1) (8CI), pyridine-3-carboxylic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1), Xanthinol, Xanthinolnicotinate, Xanthinol Nicotinate?, UNII-8G60H12X2D, DEA No. 2772, CID9912, 8G60H12X2D, AR-1L4261, C13-H21-N5-O4.C6-H5-N-O2, 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline compd with nicotinic acid, 3-Pyridinecarboxylic acid, compound with 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione (1:1), 473-98-3, nicotinic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1),

Complexity	548
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	434.191g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	434.453g/mol
Monoisotopic Mass	434.191g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	152A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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