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50602-44-3

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Basic Information
CAS No.: 50602-44-3
Name: 4-Methoxy-7H-pyrimido(4,5-b)(1,4)thiazin-6-amine
Molecular Structure:
Molecular Structure of 50602-44-3 (4-Methoxy-7H-pyrimido(4,5-b)(1,4)thiazin-6-amine)
Formula: C7H8 N4 O S . Cl H
Molecular Weight: 232.71
Synonyms: 7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, monohydrochloride (9CI); Thomizine; Tomizine
Boiling Point: 456.8°C at 760 mmHg
Flash Point: 230.1°C
Safety: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl.
PSA: 98.69000
LogP: 1.51750
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  • 7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

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    50602-44-3

    7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

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  • 7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

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    50602-44-3

    7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

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  • 7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

  • Casno:

    50602-44-3

    7H-Pyrimido[4,5-b][1,4]thiazin-6-amine,4-methoxy-, hydrochloride (1:1)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx, SOx, and HCl.

Specification

 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 .