Introduction:Basic information about CAS 4678-45-9|Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- |
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| CAS Number | 4678-45-9 | Molecular Weight | 370.48000 |
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| Density | 1.36g/cm3 | Boiling Point | 552.6ºC at 760 mmHg |
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| Molecular Formula | C20H34O6 | Melting Point | / |
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| MSDS | / | Flash Point | 250.9ºC |
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Names
| Name | Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R) |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.36g/cm3 |
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| Boiling Point | 552.6ºC at 760 mmHg |
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| Molecular Formula | C20H34O6 |
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| Molecular Weight | 370.48000 |
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| Flash Point | 250.9ºC |
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| Exact Mass | 370.23600 |
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| PSA | 121.38000 |
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| LogP | 0.16830 |
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| Index of Refraction | 1.619 |
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| InChIKey | BWMFRQKICHXLSH-WSUOOEHKSA-N |
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| SMILES | CC1(O)CC23CC(O)C4(O)C(CC(O)C4(C)C)C(C)(O)C2CCC1C3O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- PB9190000
- CHEMICAL NAME :
- 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a, 12(1H)-hexol, dodecahydro-1,1,4,8- tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
- CAS REGISTRY NUMBER :
- 4678-45-9
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C20-H34-O6
- MOLECULAR WEIGHT :
- 370.54
- WISWESSER LINE NOTATION :
- L E5 B765 A 1B P BXTJ AQ DQ EQ F1 F1 GQ JQ J1 OQ O1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 840 mg/kg
- TOXIC EFFECTS :
- Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Behavioral - muscle contraction or spasticity
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 35,303,1976
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 400 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 44,259,1980
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Safety Information
| Hazard Codes | T |
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| Risk Phrases | 23/24/25-36/38 |
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| Safety Phrases | S22;S26;S45;S36/S37/S39 |
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| RIDADR | UN 2811 6.1/PG 3 |
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| Hazard Class | 6.1(a) |
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Synonyms
| deacylasebotoxini |
| andromedol |
| GRAYANOTOXIN 3.1/2 ETHYL ACETATE ADDUCT |
| deacetylandromedotoxin |
| MFCD00285883 |