CAS No.100299-08-9,Pemirolast potassium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100299-08-9
Name:	Pemirolast potassium
Article Data:	3

Formula:	C₁₀H₇KN₆O
Molecular Weight:	266.303
Synonyms:	Pemirolast potassium salt;TBX;TBX(pharmaceutical);4H-Pyrido[1,2-a]pyrimidin-4-one,9-methyl-3-(1H-tetrazol-5-yl)-, potassium salt (9CI);Alamast;Alegysal;BMY26517;Pemilaston;
Melting Point:	310-311 °C (dec.)
Boiling Point:	454.8 °C at 760 mmHg
Flash Point:	228.9 °C
Solubility:	Water (Slightly)
Appearance:	crystalline solid
PSA:	77.97000
LogP:	-0.03120

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Specification

The Pemirolast potassium with CAS registry number of 100299-08-9 is also known as Pemirolast potassium salt. The IUPAC name is Potassium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one. It belongs to product categories of Anti-Allergic; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals. In addition, the formula is C₁₀H₇KN₆O and the molecular weight is 266.30. This chemical is a crystalline solid. What's more, it can be used as a inhibitor of chemical mediator and antiallergic.

Physical properties about Pemirolast potassium are: (1)ACD/LogP: -0.02; (2)ACD/LogD (pH 5.5): -1.14; (3)ACD/LogD (pH 7.4): -1.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.75; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 228.9 °C; (12)Enthalpy of Vaporization: 71.45 kJ/mol; (13)Boiling Point: 454.8 °C at 760 mmHg; (14)Vapour Pressure: 1.85E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
2. 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
3. InChIKey: NMMVKSMGBDRONO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	oral	> 6gm/kg (6000mg/kg)	Drugs in Japan Vol. -, Pg. 1259, 1995.
mouse	LD50	intraperitoneal	511mg/kg (511mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
mouse	LD50	intravenous	220mg/kg (220mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #95-69895,
mouse	LD50	oral	1185mg/kg (1185mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
mouse	LD50	subcutaneous	543mg/kg (543mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	intravenous	372mg/kg (372mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #95-69895,
rat	LD50	oral	687mg/kg (687mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	subcutaneous	430mg/kg (430mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.