omeprazole

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Names

[ CAS No. ]:
73590-58-6

[ Name ]:
omeprazole

[Synonym ]:
5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)-methylsulfinyl]benzimidazole
5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-benzimidazole
Omepral
(RS)-5-Methoxy-2-(4-methoxy-3,5-dimethyl-2-pyridylmethylsulphinyl)benzimidazole
elgam
ANTRA
MEPRAL
Zoltum
1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-
[14C]-Omeprazole
PRILOSEC
(-)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
zimor
Losec
Omeprazen
Pepticum
prysma
5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
EINECS 201-212-8
(±)-Omeprazole
MFCD00083192
Omeprazole
5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulphinyl]-1H-benzimidazole
aulcer
6-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole
1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-
sulfonium, hydroxy(6-methoxy-1H-benzimidazol-2-yl)[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-, inner salt
ulcsep
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulphinyl]-1H-benzimidazole
Miol
Gastrogard

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
600.0±60.0 °C at 760 mmHg

[ Melting Point ]:
156ºC

[ Molecular Formula ]:
C17H19N3O3S

[ Molecular Weight ]:
345.416

[ Flash Point ]:
316.7±32.9 °C

[ Exact Mass ]:
345.114716

[ PSA ]:
96.31000

[ LogP ]:
2.17

[ Vapour Pressure ]:
0.0±1.7 mmHg at 25°C

[ Index of Refraction ]:
1.669

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable, but hygroscopic and photosensitive. Incompatible with strong oxidizing agents. Store in the dark.

[ Water Solubility ]:
H2O: 0.5 mg/mL

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD9087000
CHEMICAL NAME :
1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)met hyl)sulfinyl)-
CAS REGISTRY NUMBER :
73590-58-6
LAST UPDATED :
199806
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C17-H19-N3-O3-S
MOLECULAR WEIGHT :
345.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
800 ug/kg/2D-I
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
30 mg/kg/10W-I
TOXIC EFFECTS :
Blood - eosinophilia Kidney, Ureter, Bladder - interstitial nephritis Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
4 mg/kg/2W-I
TOXIC EFFECTS :
Musculoskeletal - joints Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2210 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>50 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Gastrointestinal - hypermotility, diarrhea Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Skin and Appendages - hair Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Skin and Appendages - dermatitis, other (after systemic exposure)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
82800 ug/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
DOSE :
8320 mg/kg
SEX/DURATION :
female 17-20 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3520 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
TYPE OF TEST :
DNA damage

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
100 mg/kg
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 262,73,1991

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DD9087000

Precursor & DownStream

Precursor

  • ufiprazole
  • (-)-menthyl 5-methoxy-2-benzimidazolylsulphinate
  • 4-methoxy-2,3,5-trimethylpyridine
  • 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole N-Oxide
  • D-(-)-tartaric acid diethyl ester
  • (-)-Diethyl D-tartrate
  • (N,N)-diisopropylethylamine
  • Amoxicillin

DownStream

  • 4-methoxy-2,3,5-trimethylpyridine
  • 5-Methoxy-2-benzimidazolethiol
  • Tetracycline
  • (+)-omeprazole
  • Esomeprazole
  • 1,4-Dihydro-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-4-oxo-2-pyridinecarboxylic acid
  • Amoxicillin

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Related Compounds

  • omeprazole
  • Esomeprazole
  • Esomeprazole
  • Esomeprazole
  • Omeprazole-d3
  • Omeprazole D3
  • tert-butyl N-{3-bromo-2-[(1-methoxypropan-2-yl)oxy]-2-methylpropyl}-N-ethylcarbamate
  • tert-butyl N-{3-bromo-2-[(1-methoxypropan-2-yl)oxy]-2-methylpropyl}carbamate
  • 4-(Bromomethyl)-4-[(1-methoxypropan-2-yl)oxy]oxane
  • 1-(Iodomethyl)-1-[(1-methoxypropan-2-yl)oxy]cycloheptane
  • 1-(Iodomethyl)-1-[(1-methoxypropan-2-yl)oxy]-3-methylcyclohexane
  • 1-Bromo-2-[(1-methoxypropan-2-yl)oxy]-2-methylpropane
  • {1-Iodo-2-[(1-methoxypropan-2-yl)oxy]propan-2-yl}benzene
  • 1-(Iodomethyl)-1-[(1-methoxypropan-2-yl)oxy]cyclohexane
  • 1-Fluoro-2-{2-iodo-1-[(1-methoxypropan-2-yl)oxy]ethyl}benzene
  • 1-(Iodomethyl)-1-[(1-methoxypropan-2-yl)oxy]-4-methylcyclohexane
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