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Ipronidazole

Ipronidazole structure

CAS No:
14885-29-1
Formula:
C7H11N3O2
Chemical Name:
Ipronidazole
Synonyms:
1H-Imidazole,1-methyl-2-(1-methylethyl)-5-nitro-;Imidazole,2-isopropyl-1-methyl-5-nitro-;1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole;Ipronidazole;1-Methyl-2-isopropyl-5-nitroimidazole;Ipropran;2-Isopropyl-1-methyl-5-nitroimidazole;Ro 07-1554;NSC 109212;1-Methyl-5-nitro-2-propan-2-ylimidazole;1-Methyl-5-nitro-2-(propan-2-yl)-1H-imidazole
Categories:
Analytical Chemistry > Standard

Description

Off-White Solid

Ipronidazole is a C-nitro compound and a member of imidazoles.|An antihistomonal agent with low toxicity. It also promotes growth and feed utilization in poultry.

Ipronidazole Basic Attributes

Molecular Weight：

169.18114

Exact Mass：

169.18

EC Number：

238-957-3

UNII：

045BU63E23

NSC Number：

109212

DSSTox ID：

DTXSID7046839

HScode：

2933290090

Characteristics

PSA：

63.6

XLogP3：

1.18

Density：

1.2509 (rough estimate)

Melting Point：

60 °C

Boiling Point：

298.47°C (rough estimate)

Flash Point：

140.9±20.4 °C

Refractive Index：

1.5950 (estimate)

Vapor Pressure：

0.00118mmHg at 25°C

Toxicity：

LD50 orally in poults: 640 ± 25 mg/kg (Marusich, p 92)

Collision Cross Section：

126.1 Å² [M+H]+ [CCS Type: TW]|138.1 Å² [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|133.47 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)

MeSH Entry Terms：

Ipronidazole

Ipronidazole Use and Manufacturing

Uses

An antihistomonal agent. Antiprotozoal (Histomonas).

Use Classification：

Pharmaceuticals

Food Additive Classes：

Veterinary Drug -> ANTIPROTOZOAL_AGENT;

Computed Properties

Molecular Weight:169.18
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:169.085126602
Monoisotopic Mass:169.085126602
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes