(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

315-22-0
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. FormulaC₁₆H₂₃NO₆
Mol. Weight325.36
Melting Point>140°C (dec.)
Density1.35
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 Number315-22-0
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 NumberMFCD00084656
Beilstein Registry Number48732
PubChem Substance ID9415
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 NotationT55 AN CUTJ FQ D1OV1- ET5OVTJ C1 D1 EQ
InChIInChI=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
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
  • H301 Toxic if swallowed 吞食有毒
WGK Germany3
RTECSQB3140000
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes 6.1 T
Safety Statements
  • 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);
Risk Statements
  • 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
UN Number 1544
Storage condition -20 储存温度 2-8°C 储存温度--20°C
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

Packing GroupIII

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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