Introduction:Basic information about CAS 361-37-5|methysergide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methysergide |
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| CAS Number | 361-37-5 | Molecular Weight | 353.45800 |
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| Density | 1.28g/cm3 | Boiling Point | 634.4ºC at 760mmHg |
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| Molecular Formula | C21H27N3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 337.5ºC |
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Names
| Name | methysergide |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.28g/cm3 |
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| Boiling Point | 634.4ºC at 760mmHg |
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| Molecular Formula | C21H27N3O2 |
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| Molecular Weight | 353.45800 |
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| Flash Point | 337.5ºC |
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| Exact Mass | 353.21000 |
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| PSA | 57.50000 |
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| LogP | 2.26390 |
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| Index of Refraction | 1.658 |
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| InChIKey | KPJZHOPZRAFDTN-ZRGWGRIASA-N |
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| SMILES | CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KE5300000
- CHEMICAL NAME :
- Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimeth yl-
- CAS REGISTRY NUMBER :
- 361-37-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C21-H27-N3-O2
- MOLECULAR WEIGHT :
- 353.51
- WISWESSER LINE NOTATION :
- T C6656 1A P GN LN CUTT&&J EVMY2&1Q G1 L1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Human
- DOSE/DURATION :
- 28 ug/kg
- TOXIC EFFECTS :
- Behavioral - anorexia (human) Behavioral - headache Gastrointestinal - nausea or vomiting
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,220,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 440 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 185 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
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Synonyms
| Metisergide |
| Desernil |
| Deseril |
| Methysergid |
| Sansert |
| Metisergide [DCIT] |
| Desernyl |
| Deseryl |
| methsergide |
| Methysergidum |
| (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide |