Introduction:Basic information about CAS 20013-22-3|Caulophylline hydriodide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Caulophylline hydriodide |
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| CAS Number | 20013-22-3 | Molecular Weight | 332.181 |
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| Density | / | Boiling Point | 408.9ºC at 760 mmHg |
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| Molecular Formula | C12H17IN2O | Melting Point | / |
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| MSDS | / | Flash Point | 201.1ºC |
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Names
| Name | Caulophylline hydriodide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 408.9ºC at 760 mmHg |
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| Molecular Formula | C12H17IN2O |
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| Molecular Weight | 332.181 |
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| Flash Point | 201.1ºC |
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| Exact Mass | 332.038544 |
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| PSA | 34.03000 |
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| LogP | 2.12800 |
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| Vapour Pressure | 6.75E-07mmHg at 25°C |
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| InChIKey | DPRCHJCFEKIYQJ-UHFFFAOYSA-N |
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| SMILES | CC1C2CNCC1c1cccc(=O)n1C2.I |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- HA4550000
- CHEMICAL NAME :
- Cytisine, 12-methyl-, hydrogen iodide
- CAS REGISTRY NUMBER :
- 20013-22-3
- LAST UPDATED :
- 199207
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C12-H16-N2-O.H-I
- MOLECULAR WEIGHT :
- 332.21
- WISWESSER LINE NOTATION :
- T C666 A GVN LM&TTJ &IH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >830 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 51 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)
- REFERENCE :
- BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 21 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)
- REFERENCE :
- BJPCBM British Journal of Pharmacology. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.34- 1968- Volume(issue)/page/year: 35,161,1969
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Safety Information
Synonyms
| (1R)-3-methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-one,hydriodide |
| (1R)-3-Methyl-1,2,3,4,5,6-hexahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-on,Hydroiodid |
| N-Methylcytisine hydriodide |
| C12H17N2O.I |
| N-methylcytisine,monohydroiodide,(1R-cis)-isomer |
| CYTISINE,12-METHYL-,HYDROGEN IODIDE |
| Caulophylline,monohydriodide (8CI) |
| 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocinium, 1,3,4,5,6,8-hexahydro-12-methyl-8-oxo-, iodide (1:1) |
| Caulophyllinehydriodide |
| Caulophylline,monohydriodide |
| (-)-7R:9S-Caulophylline hydrogen iodide |
| 13-Methyl-6-oxo-11-aza-7-azoniatricyclo[7.3.1.0]trideca-2,4-diene iodide |