Introduction：Basic information about CAS 72126-78-4|Dimethylaminomethylfurylmethylthioethyl Ranitidine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Dimethylaminomethylfurylmethylthioethyl Ranitidine |
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| CAS Number | 72126-78-4 | Molecular Weight | 497.67400 |
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| Density | 1.206g/cm3 | Boiling Point | 598.6ºC at 760 mmHg |
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| Molecular Formula | C22H35N5O4S2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 315.8ºC |
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| Symbol |
GHS07, GHS08 | Signal Word | Danger |
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Names
| Name | Dimethylaminomethylfurylmethylthioethyl Ranitidine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.206g/cm3 |
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| Boiling Point | 598.6ºC at 760 mmHg |
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| Molecular Formula | C22H35N5O4S2 |
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| Molecular Weight | 497.67400 |
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| Flash Point | 315.8ºC |
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| Exact Mass | 497.21300 |
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| PSA | 153.24000 |
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| LogP | 4.72220 |
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| Index of Refraction | 1.581 |
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| InChIKey | VTVSRHZKBPARSF-UHFFFAOYSA-N |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCCSCc2ccc(CN(C)C)o2)o1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KM6555500
- CHEMICAL NAME :
- 1,1-Ethenediamine, N,N'-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)met hyl)thio)ethyl)- 2-nitro-
- CAS REGISTRY NUMBER :
- 72126-78-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C22-H35-N5-O4-S2
- MOLECULAR WEIGHT :
- 497.74
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 35,1102,1992
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Safety Information
| Symbol |
GHS07, GHS08 |
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| Signal Word | Danger |
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| Hazard Statements | H317-H334-H335 |
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| Precautionary Statements | P261-P280-P342 + P311 |
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| Hazard Codes | Xn |
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| Risk Phrases | 37-42/43 |
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| Safety Phrases | 22-36/37 |
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| RIDADR | NONH for all modes of transport |
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Synonyms
| 1-N,1-N'-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2-nitroethene-1,1-diamine |
| N,N'-Bis[2-[[[5-[(Dimethylamino)Methyl]-2-Furanyl]Methyl]Thio]Ethyl]-2-Nitro-1,1-Ethenediamine |
| Ranitidine Impurity 1 |
