(3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione (3R,4R,5R,8a1R,13aR)-4,5-二羟基-3,4,5-三甲基-4,5,8,8a1,10,12,13,13a-八氢-2H- [1,6 ]二氧杂环十一烷并[2,3,4-gh]吡咯嗪-2,6(3H)-二酮
CAS 315-22-0 MFCD00084656
化学结构图
SMILES: C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
化学属性
| Mol. Formula | C₁₆H₂₃NO₆ |
|---|---|
| Mol. Weight | 325.36 |
| Melting Point | >140°C (dec.) |
| Density | 1.35 |
| Boiling Point |
别名和识别编码
| Chemical Name | (3R,4R,5R,8a1R,13aR)-4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,8a1,10,12,13,13a-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione |
|---|---|
| CAS Number | 315-22-0 |
| Synonym | (13-alpha,14-alpha)-14,19-Dihydro-12,13-dihydroxy-20-norcrotalanan-11,15-dione Monocrotaline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {SNA} 单响尾蛇毒蛋白 野百合碱 野百合碱 |
| MDL Number | MFCD00084656 |
| Beilstein Registry Number | 48732 |
| PubChem Substance ID | 9415 |
| Chemical Name Translation | (3R,4R,5R,8a1R,13aR)-4,5-二羟基-3,4,5-三甲基-4,5,8,8a1,10,12,13,13a-八氢-2H- [1,6 ]二氧杂环十一烷并[2,3,4-gh]吡咯嗪-2,6(3H)-二酮 |
| Wiswesser Line Notation | T55 AN CUTJ FQ D1OV1- ET5OVTJ C1 D1 EQ |
| InChI | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1 |
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分类
- Analytical Standards, Analytical/Chromatography, Biotoxins, Chromatography, Life Sciences Standards, Phytotoxins
- {SNA} Bioactive Small Molecule Alphabetical Index, CI-CZ, Snake, Toxins and Venoms, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
- {SNA} Cell Biology, Cell Signaling and Neuroscience, Snake, Toxins and Venoms
- {SNA} Alkaloids / Nitrogen Containing Compounds, Analytical Standards, Biotoxin and Mycotoxin Standards, Food and Cosmetic Component Standards, Phytochemical Standards, Phytotoxins, 分析/色谱
产品应用
- A toxic, pyrrolizidine alkaloid
相关文献及参考
- Bober, M.A., et al.: Toxicon, 27, 1059 (1989),
- Merck: 14,6250
- Wilson, D.W., et al.: Crit. Rev. Toxicol., 22, 307 (1992),
- Newberne, P.M., et al.: Toxicol. Appl. Pharmacol., 18, 387 (1971),
- Merck: 14,6250 Beilstein: 27,IV,6660
安全信息
GHS Symbol
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P310
- H351 Suspected of causing cancer 怀疑致癌
- H301 Toxic if swallowed 吞食有毒
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- R25 Toxic if swallowed 吞咽有毒
- R35 Causes severe burns 会导致严重灼伤
- R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 130 mg/kg/1Y-I TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors REFERENCE : JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 56,787,1976
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 66 mg/kg TOXIC EFFECTS : Liver - hepatitis (hepatocellular necrosis), diffuse REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,387,1971
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 92 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: 83,265,19
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 259 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 59,424,1981
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Rodent - r
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 60 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PAREAQ Pharmacological Reviews. (Williams & Wilkins, 428 E. Preston St., Baltimore, MD 21202) V.1- 1949- Volume(issue)/page/year: 22,429,1970
TYPE OF TEST : Heritable translocation test ROUTE OF EXPOSURE : Parenteral TEST SYSTEM : Insect - Drosophila melanogaster DOSE/DURATION : 10 mmol/L REFERENCE : JOGNAU
TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rat Liver DOSE/DURATION : 2 umol/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 45,3125,1985
TYPE OF TEST : Mutation test systems - not otherwise specified ROUTE OF EXPOSURE : Subcutaneous TEST SYSTEM : Rodent - rat DOSE/DURATION : 20 mg/kg REFERENCE : RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 5,859,1973
TYPE OF TEST : Specific locus test ROUTE OF EXPOSURE : Oral TEST SYSTEM : Insect - Drosophila melanogaster DOSE/DURATION : 10 umol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,243,1987
TYPE OF TEST : Micronucleus test ROUTE OF EXPOSURE : Intraperitoneal TEST SYSTEM : Rodent - mouse DOSE/DURATION : 125 mg/kg REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 285,27,1993
TYPE OF TEST : DNA damage ROUTE OF EXPOSURE : Intraperitoneal TEST SYSTEM : Rodent - rat DOSE/DURATION : 5 mg/kg REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/ye
其他信息
- Monocrotaline is a toxic, pyrrolizidine alkaloid. It is used for inducing pulmonary diseases in rats. The alkaloid causes pulmonary artery hypertension, right ventricular hypertrophy, and pathological changes in the pulmonary vasculature.
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