1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-

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Names

[ CAS No. ]:
13551-92-3

[ Name ]:
1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-

[Synonym ]:
2-Hydroxy-3-(2-nitro-1-imidazolyl)-propanol
Desmethylmisonidazole
EINECS 236-932-1
3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diol
1-(2-nitro-1-imidazolyl)-3-hydroxypropanol
Ro 5-9963
O-Desmethyl-misonidazole
3-(2-nitro-imidazol-1-yl)-propane-1,2-diol
3-(2-Nitro-I-imidazolyl)-1,2-propanediol
1-(2,3-dihydroxypropyl)-2-nitroimidazole
Demethylmisonidazole

Chemical & Physical Properties

[ Density]:
1.61g/cm3

[ Boiling Point ]:
521.5ºC at 760mmHg

[ Molecular Formula ]:
C6H9N3O4

[ Molecular Weight ]:
187.15300

[ Flash Point ]:
269.2ºC

[ Exact Mass ]:
187.05900

[ PSA ]:
104.10000

[ Vapour Pressure ]:
1.05E-11mmHg at 25°C

[ Index of Refraction ]:
1.643

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ0818000
CHEMICAL NAME :
1,2-Propanediol, 3-(2-nitroimidazol-1-yl)-
CAS REGISTRY NUMBER :
13551-92-3
BEILSTEIN REFERENCE NO. :
0613156
LAST UPDATED :
199612
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C6-H9-N3-O4
MOLECULAR WEIGHT :
187.18
WISWESSER LINE NOTATION :
T5N CNJ A1YQ1Q BNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5076 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2532 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - contraction (isolated tissue)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2730 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 :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9020 mg/kg/20D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3340 mg/kg/20D-I
TOXIC EFFECTS :
Behavioral - ataxia Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
2250 mg/kg/20D-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - mouse Embryo
DOSE/DURATION :
1 mmol/L/3D (Continuous)
REFERENCE :
45OJAG "Radiation Sensitizers: Their Use in the Clinical Management of Cancer, Proceedings of the Conference, Key Biscayne, FL, 1979," Brady, L.W., ed., New York, Masson Pub. USA, Inc., 1980 Volume(issue)/page/year: -,146,1980

Safety Information

[ HS Code ]:
2933290090

Precursor & DownStream

Precursor

  • 2-Nitroimidazole
  • Glycidol

DownStream

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%

Related Compounds

  • 1,2-Propanediol,3-(2-methyl-1H-imidazol-1-yl)-(9CI)
  • 1-[(2-Bromoethyl)amino]-3-(2-nitro-1H-imidazol-1-yl)-2-propanol h ydrobromide (1:1)
  • RB-6145
  • 1-[2-(2-Nitro-1H-imidazol-1-yl)ethyl]piperidine 1-oxide
  • 1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-N-(N-ethoxycarbonyl-(L)-val yl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexa ne
  • 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)piperazine
  • N-benzyl-2-(2-((4-bromobenzyl)thio)-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-[5-(hydroxymethyl)-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazol-1-yl]acetamide
  • N-benzyl-2-(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(2-{[(3-fluorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(2-(benzylthio)-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide
  • N-benzyl-2-(3-benzyl-4-oxo-3H-pyrimido[5,4-b]indol-5(4H)-yl)acetamide
  • 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[3,2-d]pyrimidin-1-yl}-N-benzylacetamide
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