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MONOCROTALINE |
| Synonyms. Monocrotaline; (13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan- 11,15-dione; (4,5,8,10,12,13,13a,13b)-octahydro- 4,5-Dihydroxy-3,4,5-trimethyl-2H-(1,6) dioxacycloundecino (2,3,4-gh)pyrrolizine -2,6(3H)-dione; 12-beta,13-beta-dihydroxy-12-alpha, 13-alpha, 14-alpha- trimethylcrotal-1-enine; 14,19-Dihydro-12,13-dihydroxy(13-alpha,14-alpha)-20- norcrotalanan-11,15-dione; (13alpha,14alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan- 11,15-dione; Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate; |
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| PRODUCT IDENTIFICATION | |
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CAS RN |
315-22-0 |
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EINECS RN |
201 |
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FORMULA |
C16H23NO6 |
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MOLE WEIGHT |
325.36 |
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H.S CODE |
2939.99.0000 |
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SMILES |
[C@@H]12[C@H]3CCN1CC=C2COC(=O)[C@]([C@]([C@H](C(=O)O3) C)(C) O)(C)O |
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CLASSIFICATION |
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EXTRA NOTES |
A pyrrolizidine alkaloid and a toxic plant constituent that poisons livestock and humans through the ingestion of contaminated grains and other foods. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature. Significant attenuation of the cardiopulmonary changes are noted after oral magnesium treatment. MeSH |
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| PHYSICAL AND CHEMICAL PROPERTIES | |
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PHYSICAL STATE |
white to off-white crystalline powder |
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MELTING POINT |
204 C |
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BOILING POINT |
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DENSITY |
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SOLUBILITY IN WATER |
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| SOLVENT SOLUBILITY |
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VAPOR DENSITY |
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log P(octanol-water) |
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VAPOR PRESSURE |
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AUTOIGNITION TEMP |
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| pK |
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REFRACTIVE INDEX |
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FLASH POINT |
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| STABILITY AND REACTIVITY | |
| STABILITY | Stable under normal conditions. |
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INCOMPATIBLE MATERIALS |
Strong oxidizing agents, Strong acids, Strong bases |
| POLYMERIZATION |
Has not been reported |
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NFPA RATINGS |
Health: 2, Flammability: 1, Reactivity: 0 |
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| EXTERNAL LINKS & GENERAL DESCRIPTION |
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USA.gov - Monocrotaline Wikipedia Linking - Monocrotaline Google Scholar Search - Monocrotaline U.S. National Library of Medicine - Monocrotaline PubChem Compound Summary - Monocrotaline KEGG (Kyoto Encyclopedia of Genes and Genomes) - Monocrotaline ChEBI (http://www.ebi.ac.uk/chebi/) - Monocrotaline NCBI (http://www.ncbi.nlm.nih.gov/) - Monocrotaline Material Safety Data Sheet - Monocrotaline Human Metabolome Database - Monocrotaline Hazardous Substances Data Bank - Monocrotaline EPA - Substance Registry Services - Monocrotaline |
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| SALES SPECIFICATION | |
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APPEARANCE |
white to off-white crystalline powder |
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ASSAY |
98% min |
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MELTING POINT |
204 C |
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LOSS ON DRYING |
1% max |
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| TRANSPORT & REGULATORY INFORMATION | |
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UN NO. |
1544 |
| HAZARD CLASS |
6.1 |
| PACKING GROUP | III |
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| SAFETY INFORMATION | |
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HAZARD OVERVIEW |
GHS (Globally Harmonised System) Classification: Acute toxicity (Oral). Carcinogenicity. Hazard statements: Toxic if swallowed. Suspected of causing cancer. |
| SIGNAL WORD | Danger |
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PICTOGRAMS |
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HAZARD STATEMENTS |
H301-H351 |
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P STATEMENTS |
P281-P301 + P310 |
| EC DIRECTIVES |
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| HAZARD CODES |
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RISK PHRASES |
25-40 |
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SAFETY PHRASES |
36/37/39-45 |
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| PACKING |
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Preserved in light-resistant and well-closed bottles |
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