Product Name: Tomizine (CAS NO.50602-44-3)
Molecular Formula: C7H8N4OS•ClH
Molecular Weight: 232.71g/mol
Mol File: 50602-44-3.mol
Boiling point: 456.8 °C at 760 mmHg
Flash Point: 230.1 °C
Enthalpy of Vaporization: 71.68 kJ/mol
Vapour Pressure: 1.57E-08 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Tomizine (CAS NO.50602-44-3):
IUPAC Name: 4-methoxy-7H-pyrimido[4,5-b][1,4]thiazin-6-amine hydrochloride
Canonical SMILES: COC1=C2C(=NC=N1)SCC(=N2)N.Cl
InChI: InChI=1S/C7H8N4OS.ClH/c1-12-6-5-7(10-3-9-6)13-2-4(8)11-5;/h3H,2H2,1H3,(H2,8,11);1H
InChIKey: NTLYNOPIQSYARR-UHFFFAOYSA-N
1. | sln-dmg-orl 400 mg/L | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 15 (1981),772. | ||
2. | cyt-mus-ipr 3 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 15 (1981),772. | ||
3. | spm-mus-ipr 90 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 15 (1981),772. | ||
4. | ipr-rat LD50:170 mg/kg | FATOAO Farmakologiya i Toksikologiya (Moscow). 42 (1979),85. | ||
5. | ipr-mus LD50:180 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 15 (1981),772. |
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl.
Tomizine ,its CAS NO. is 50602-44-3,the synonyms is 4-Methoxy-7H-pyrimido(4,5-b)(1,4)thiazin-6-amine ; 7H-Pyrimido(4,5-b)(1,4)thiazin-6-amine, 4-methoxy-, monohydrochloride .
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