AG0001HB

100299-08-9 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-, potassium salt (1:1)

AG0001HB

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CAS Number	100299-08-9
Catalog Number	AG0001HB(AGN-PC-0OPKHV)
Chemical Name	4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-, potassium salt (1:1)
IUPAC Name	potassium;9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
InChI	InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1
InChI Key	NMMVKSMGBDRONO-UHFFFAOYSA-N
MDL Number	MFCD22575284
Molecular Formula	C10H7KN6O
Molecular Weight	266.3005
SMILES	O=C1C(C2=N[N-]N=N2)=CN=C3N1C=CC=C3C.[K+]
UNII	497A17OUUE
Synonyms	9-methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one, 9-TBX, Alamast, BMY 26517, BMY-26517, pemirolast, pemirolast potassium salt, PEMIROLAST POTASSIUM, 100299-08-9, Pemilaston, Alamast, Pemirolast potassium salt, BMY 26517, Alegysal, UNII-497A17OUUE, CCRIS 3562, Pemirolast potassium [USAN:JAN], TWT-8152, BMY-26517, 497A17OUUE, TBX, 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one, potassium salt, DSSTox_CID_26623, DSSTox_RID_81773, DSSTox_GSID_46623, potassium 5-(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)tetrazol-1-ide, 4H-Pyrido(1,2-a)pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)-, potassium salt, 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one potassium salt, 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one Potassium Salt, 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one potassium salt; BMY 26517, potassium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one, CAS-100299-08-9, NCGC00167434-01, Pemilaston (TN), Alegysal (TN), Alamast (TN), AC1L9FCU, TBX, Pemirolast Potassium, AC1Q1U3A, Alamast, Pemirolast potassium, C10H7KN6O, SCHEMBL865789, C10H9N6O.K, CHEMBL1201050, DTXSID7046623, CTK8E7454, pemirolast-bmy-26517-potassium, NMMVKSMGBDRONO-UHFFFAOYSA-N, HMS3713G17, BMY26517, Pemirolast potassium (JP17/USAN), Tox21_112438, DE-068, Pemirolast (BMY 26517) potassium, s4008, AKOS015901748, Tox21_112438_1, AC-8303, AN-8120, API0003772, CCG-220358, HS-0020, Pemirolast potassium, >=98% (HPLC), SB18793, VA11504, NCGC00167434-02, AC-22387, H445, LS-134189, RT-014978, FT-0631005, P1995, P2547, D01088, 299P089, J-000087, I14-14049, kalium-5-(9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)tetrazol-1-id, 9-methyl-3-(1H-tetrazol-5-yl)-4H-pyridol[1,2-alpha]pyrimidin-4-one, potassium salt, 9-Methyl-3-(2H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one Potassium Salt, C10H7N6O.K, C10-H7-N6-O.K, CID57696, CID443866, B1563, 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-, potassium salt (1:1), 10-METHYL-4-(2H-TETRAZOL-5-YL)-2,6-DIAZABICYCLO[4.4.0]DECA-1,3,7,9-TETRAEN-5-ONE POTASSIUM,

Complexity	495
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.032g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.305g/mol
Monoisotopic Mass	266.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	72.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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