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Ternidazole

Ternidazole structure

CAS No:
1077-93-6
Formula:
C7H11N3O3
Chemical Name:
Ternidazole
Synonyms:
1H-Imidazole-1-propanol,2-methyl-5-nitro-;Imidazole-1-propanol,2-methyl-5-nitro-;2-Methyl-5-nitro-1H-imidazole-1-propanol;1-(3-Hydroxypropyl)-2-methyl-5-nitroimidazole;Ternidazole;2-Methyl-5-nitroimidazole-1-propanol;1-(3-Hydroxypropyl)-2-methyl-5-nitro-1H-imidazole
Categories:
Organic Chemistry > Nitrogen Compounds

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Ternidazole Basic Attributes

Molecular Weight：

185.183

Exact Mass：

185.18

EC Number：

214-077-5

UNII：

4N8R018QB0

HScode：

2933290090

Characteristics

PSA：

83.9

XLogP3：

1.00530

Density：

1.38±0.1 g/cm3(Predicted)

Melting Point：

130 °C

Boiling Point：

419.9±25.0 °C(Predicted)

Flash Point：

207.8ºC

Refractive Index：

1.595

Vapor Pressure：

8.4E-08mmHg at 25°C

Collision Cross Section：

138.6 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|152.9 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

(3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol)

Ternidazole Use and Manufacturing

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:185.18
XLogP3:-1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:185.08004122
Monoisotopic Mass:185.08004122
Topological Polar Surface Area:83.9
Heavy Atom Count:13
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes