Introduction：Basic information about CAS 81147-92-4|Esmolol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Esmolol |
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| CAS Number | 81147-92-4 | Molecular Weight | 295.374 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 430.2±40.0 °C at 760 mmHg |
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| Molecular Formula | C16H25NO4 | Melting Point | 48-50ºC |
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| MSDS | / | Flash Point | 214.0±27.3 °C |
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Names
| Name | Esmolol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 430.2±40.0 °C at 760 mmHg |
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| Melting Point | 48-50ºC |
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| Molecular Formula | C16H25NO4 |
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| Molecular Weight | 295.374 |
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| Flash Point | 214.0±27.3 °C |
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| Exact Mass | 295.178345 |
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| PSA | 67.79000 |
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| LogP | 1.91 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.512 |
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| InChIKey | AQNDDEOPVVGCPG-UHFFFAOYSA-N |
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| SMILES | COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 |
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| Water Solubility | Slightly soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DA8345500
- CHEMICAL NAME :
- Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester
- CAS REGISTRY NUMBER :
- 81147-92-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C16-H25-N-O4
- MOLECULAR WEIGHT :
- 295.42
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 1200 ug/kg
- SEX/DURATION :
- female 15 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
- REFERENCE :
- ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 71,718,1989
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- DOSE :
- 3 mg/kg
- SEX/DURATION :
- female 15 week(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
- REFERENCE :
- ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 71,718,1989
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Synonyms
| methyl 3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoate |
| methyl 4-[2-hydroxy-3-[(1-methylethyl)amino]-propoxy]benzenepropanoate |
| 5-Isothiazolecarboxylic acid,3-(2-methyl-4-thiazolyl)-,methyl ester |
| (±)-Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate |
| Esmolol |
| methyl 3-<4-(2-methylthiazolyl)>isothiazole-5-carboxylate |
| Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester |
| Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate |
| methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate |
| Methyl p-[2-Hydroxy-3-(isopropylamino)propoxy]hydrocinnamate |
| methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate |
| UNII:MDY902UXSR |
| MFCD00864566 |
| methyl 3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionate |
| 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenepropanoic Acid Methyl Ester |
