CAS No.15421-84-8,7-(DIETHYLAMINO)-5-METHYL-S-TRIAZOLO[1,5-A]PYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15421-84-8
Name:	7-(DIETHYLAMINO)-5-METHYL-S-TRIAZOLO[1,5-A]PYRIMIDINE
Article Data:	5

Formula:	C₁₀H₁₅N₅
Molecular Weight:	205.263
Synonyms:	s-Triazolo[1,5-a]pyrimidine,7-(diethylamino)-5-methyl- (6CI,8CI);4-(Diethylamino)-6-methyl-1,3,3a,7-tetraazaindene;5-Methyl-7-(diethylamino)-1,2,4-triazolo[1,5-a]pyrimidine;5-Methyl-7-(diethylamino)-s-triazolo[1,5-a]pyrimidine;AR 12008;Avantrin;Rocornal;Trapymin;Trapymine;[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine,N,N-diethyl-5-methyl-;
EINECS:	239-434-2
Density:	1.21 g/cm³
Melting Point:	98-99.4° (Pfeifer); 102-104° from heptane (Tenor)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	46.32000
LogP:	1.27890

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Specification

1. Introduction of Trapidil

Trapidil, with the IUPAC Name of N,N-Diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, is one kind of white or almost white crystalline powder. Trapidil has been used for anti-angina drug.

2. Properties of Trapidil

(1)Density: 1.2 g/cm³; (2)Index of Refraction: 1.625; (3)XLogP3-AA: 1.7; (4)H-Bond Donor: 0; (5)H-Bond Acceptor: 4.

3. Structure Descriptors of Trapidil

You could convert the following datas into the molecular structure:
(1).Canonical SMILES: CCN(CC)C1=CC(=NC2=NC=NN12)C
(2).InChI: InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
(3).InChIKey: GSNOZLZNQMLSKJ-UHFFFAOYSA-N

4. Toxicity of Trapidil

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	155mg/kg (155mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
mouse	LD50	intravenous	101mg/kg (101mg/kg)	Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979.
mouse	LD50	oral	380mg/kg (380mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
mouse	LD50	subcutaneous	132mg/kg (132mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
rat	LD50	intravenous	76mg/kg (76mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
rat	LD50	oral	235mg/kg (235mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.
rat	LD50	subcutaneous	100mg/kg (100mg/kg)	Pharmazie. Vol. 26, Pg. 554, 1971.