Basic information
- CAS
1077-93-6- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCCO- InChIKey
DUOHVNSMLSPTMI-UHFFFAOYSA-N- Molecular formula
- C7H11N3O3
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.08004122
Overview
Ternidazole is a small molecule drug. The usage of the INN stem '-nidazole' in the name indicates that Ternidazole is a antiprotozoal and radiosensitizer, metronidazole derivative. Ternidazole has a monoisotopic molecular weight of 185.08 Da.
Names & identifiers
- Preferred name
- Ternidazole
- IUPAC
- 3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol
- English name
- Ternidazole
- Molecular formula
- C7H11N3O3
- Molecular weight
- 185.18
Names & synonyms
Ternidazole1077-93-6TernidazolTernidazolum4N8R018QB0DTXSID608625253-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol(3-(2-methyl-5-nitroimidazol-1-yl)-propan-1-ol)RefChem:188011DTXCID00205932214-077-52-Methyl-5-nitroimidazole-1-propanol
Show more names
1H-IMidazole-1-propanol, 2-Methyl-5-nitro-2-Methyl-5-nitro-1H-imidazole-1-(1-propanol)3-(2-Methyl-5-nitro-1H-imidazole-1-yl)-1-propanol
Ternidazole [INN]3-(2-methyl-5-nitroimidazol-1-yl)propan-1-ol3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-1-olTernidazol [INN-Spanish]Ternidazolum [INN-Latin]1-(3-hydroxypropyl)-2-methyl-5-nitro-1H-imidazoleUNII-4N8R018QB0EINECS 214-077-5
Database identifiers
- CAS
1077-93-6- PubChem CID
- 68944
- DTXSID
DTXSID60862525- ChEMBL
CHEMBL185647- UNII
- 4N8R018QB0
- EC Number
- 214-077-5
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Collision Cross Section152.9 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 419.9 · 419.9±25.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 14.9 · 14.90±0.10(Predicted)
- FDA UNII
- 4 N8R018QB0 · 4N8R018QB0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H315-H312-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H315-H312-H335-H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
Uses2-Methyl-5-nitroimidazole-1-propanol is a nitroimidazole metabolite in urine.
Suppliers43 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
Related reactions
3 records
Compound notes
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