CAS 13551-87-6|Misonidazole

Introduction:Basic information about CAS 13551-87-6|Misonidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameMisonidazole
CAS Number13551-87-6Molecular Weight201.180
Density1.4±0.1 g/cm3Boiling Point438.5±55.0 °C at 760 mmHg
Molecular FormulaC7H11N3O4Melting Point/
MSDS/Flash Point219.0±31.5 °C

Names

Name1-methoxy-3-(2-nitroimidazol-1-yl)propan-2-ol
SynonymMore Synonyms

Misonidazole BiologicalActivity

DescriptionMisonidazole (Ro 7-0582; SR 1354) is a hypoxic tumor cell radiosensitizer[1]. Misonidazole also has antimicrobial effects[2].
Related CatalogResearch 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

Density1.4±0.1 g/cm3
Boiling Point438.5±55.0 °C at 760 mmHg
Molecular FormulaC7H11N3O4
Molecular Weight201.180
Flash Point219.0±31.5 °C
Exact Mass201.074951
PSA93.10000
LogP-0.28
Vapour Pressure0.0±1.1 mmHg at 25°C
Index of Refraction1.583
InChIKeyOBBCSXFCDPPXOL-UHFFFAOYSA-N
SMILESCOCC(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 DATA

ACUTE 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

HS Code2933290090

Customs

HS Code2933290090
Summary2933290090. 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-
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