Introduction:Basic information about CAS 13551-87-6|Misonidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Misonidazole |
|---|
| CAS Number | 13551-87-6 | Molecular Weight | 201.180 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 438.5±55.0 °C at 760 mmHg |
|---|
| Molecular Formula | C7H11N3O4 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 219.0±31.5 °C |
|---|
Names
| Name | 1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol |
|---|
| Synonym | More Synonyms |
|---|
Misonidazole BiologicalActivity
| Description | Misonidazole (Ro 7-0582; SR 1354) is a hypoxic tumor cell radiosensitizer[1]. Misonidazole also has antimicrobial effects[2]. |
|---|
| Related Catalog | Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
|---|
| References | [1]. Bibo Li, et al. Preparation, Characterization, and In Vitro pH-sensitivity Evaluation of Superparamagnetic Iron Oxide Nanoparticle- Misonidazole pH-sensitive Liposomes. Curr Drug Deliv. 2019;16(3):254-267. [2]. R C Knight, et al. Mechanism of action of nitroimidazole antimicrobial and antitumour radiosensitizing drugs. Effects of reduced misonidazole on DNA. Int J Radiat Biol Relat Stud Phys Chem Med. 1979 Oct;36(4):367-77. |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 438.5±55.0 °C at 760 mmHg |
|---|
| Molecular Formula | C7H11N3O4 |
|---|
| Molecular Weight | 201.180 |
|---|
| Flash Point | 219.0±31.5 °C |
|---|
| Exact Mass | 201.074951 |
|---|
| PSA | 93.10000 |
|---|
| LogP | -0.28 |
|---|
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
|---|
| Index of Refraction | 1.583 |
|---|
| InChIKey | OBBCSXFCDPPXOL-UHFFFAOYSA-N |
|---|
| SMILES | COCC(O)Cn1ccnc1[N+](=O)[O-] |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI5572000
- CHEMICAL NAME :
- Imidazole-1-ethanol, alpha-(methoxymethyl)-2-nitro-
- CAS REGISTRY NUMBER :
- 13551-87-6
- BEILSTEIN REFERENCE NO. :
- 0613655
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 36
- MOLECULAR FORMULA :
- C7-H11-N3-O4
- MOLECULAR WEIGHT :
- 201.21
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Human - man
- DOSE/DURATION :
- 228 mg/kg/3W-I
- TOXIC EFFECTS :
- Skin and Appendages - dermatitis, allergic (after systemic exposure)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2131 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - somnolence (general depressed activity)
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1869 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1340 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1414 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1300 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 1700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5360 mg/kg/20D-I
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 670 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 670 mg/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 1 gm/kg
- SEX/DURATION :
- female 8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sister chromatid exchange
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 5 mmol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,289,1980
|
Safety Information
Customs
| HS Code | 2933290090 |
|---|
| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| α-(Methoxymethyl)-2-nitroimidazole-1-ethanol |
| 1-Methoxy-3-(2-nitro-1H-imidazol-1-yl)-2-propanol |
| misonidazol |
| 1-Methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol |
| Misonidazole |
| a-(Methoxymethyl)-2-nitro-1H-imidazole-1-ethanol |
| Ro 7-0582 |
| Imidazole-1-ethanol, α- (methoxymethyl)-2-nitro- |
| 1H-Imidazole-1-ethanol, α- (methoxymethyl)-2-nitro- |
| EINECS 236-931-6 |
| SRI 1354 |
| 1-Methoxy-3-(2-nitro-1-imidazolyl)-2-propanol |
| 1H-Imidazole-1-ethanol, α-(methoxymethyl)-2-nitro- |