Introduction：Basic information about CAS 72830-39-8|oxmetidine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | oxmetidine |
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| CAS Number | 72830-39-8 | Molecular Weight | 399.46700 |
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| Density | 1.47g/cm3 | Boiling Point | 667ºC at 760 mmHg |
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| Molecular Formula | C19H21N5O3S | Melting Point | / |
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| MSDS | / | Flash Point | 357.2ºC |
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Names
| Name | oxmetidine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.47g/cm3 |
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| Boiling Point | 667ºC at 760 mmHg |
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| Molecular Formula | C19H21N5O3S |
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| Molecular Weight | 399.46700 |
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| Flash Point | 357.2ºC |
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| Exact Mass | 399.13700 |
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| PSA | 130.22000 |
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| LogP | 2.53920 |
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| Index of Refraction | 1.712 |
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| InChIKey | YTBDPHYVGACIPC-UHFFFAOYSA-N |
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| SMILES | Cc1[nH]cnc1CSCCNc1ncc(Cc2ccc3c(c2)OCO3)c(=O)[nH]1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UW7371000
- CHEMICAL NAME :
- 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-i midazol-4-yl)methyl) thio)ethyl)amino)-
- CAS REGISTRY NUMBER :
- 72830-39-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C19-H21-N5-O3-S
- MOLECULAR WEIGHT :
- 399.51
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 104 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,65,1989
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Synonyms
| Oxmetidina |
| OXMETIDINE |
| EINECS 276-926-6 |
| Oxmetidine [INN:BAN] |
| Oxmetidinum [INN-Latin] |
| Oxmetidinum |
| 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one |
| Oxmetidina [INN-Spanish] |
