Introduction:Basic information about CAS 298-45-3|bulbocapnine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | bulbocapnine |
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| CAS Number | 298-45-3 | Molecular Weight | 325.35800 |
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| Density | 1.342g/cm3 | Boiling Point | 504ºC at 760mmHg |
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| Molecular Formula | C19H19NO4 | Melting Point | 199-200ºC |
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| MSDS | / | Flash Point | 258.6ºC |
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Names
| Name | bulbocapnine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.342g/cm3 |
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| Boiling Point | 504ºC at 760mmHg |
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| Melting Point | 199-200ºC |
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| Molecular Formula | C19H19NO4 |
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| Molecular Weight | 325.35800 |
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| Flash Point | 258.6ºC |
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| Exact Mass | 325.13100 |
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| PSA | 51.16000 |
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| LogP | 2.81950 |
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| Vapour Pressure | 8.84E-11mmHg at 25°C |
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| Index of Refraction | 1.653 |
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| InChIKey | LODGIKWNLDQZBM-LBPRGKRZSA-N |
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| SMILES | COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CE1050000
- CHEMICAL NAME :
- 6a-alpha-Aporphin-11-ol, 10-methoxy-1,2-(methylenedioxy)-
- CAS REGISTRY NUMBER :
- 298-45-3
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C19-H19-N-O4
- MOLECULAR WEIGHT :
- 325.39
- WISWESSER LINE NOTATION :
- T D56 J666 1A T EO GO RN FH&&&TTJ KQ LO1 R1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic)
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 155,69,1965
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 195 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 56,85,1936
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 79 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12068
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Synonyms
| 10-Methoxy-6-methyl-1,2-methylendioxy-aporphan-11-ol |
| 4-Hydroxy-3-methoxy-5,6-methylenedioxy-aporphin |
| Bulbocapnine |
| Bulbokaprin |