(3S,3As,3'S,5R,8As,9R)-1-Methyl-3-Vinyl-1,2,3,3A,5,7,8,8A-Octahydrospiro[3,8,5-(Epiethane[1,1,2]Triyl)Oxepino[4,5-B]Pyrrole-4,3'-Indolin]-2'-One (3S,3aS,3'S,5R,8aS,9R)-1-甲基-3-乙烯基-1,2,3,3a,5,7,8,8a-八氢螺[3,8,5-(epiethane[1,1,2]三基)oxepino[4,5-b]吡咯-4,3'-吲哚]-2'-酮

CAS 509-15-9 MFCD00082347

化学结构图

509-15-9
SMILES: CN1C[C@@]2(C=C)[C@H]3[C@@H]1[C@@H]1CO[C@@H](C[C@H]21)[C@]13C(=O)NC2C=CC=CC1=2 |&1:3,6,7,8,11,13,14|

化学属性

Mol. FormulaC₂₀H₂₂N₂O₂
Mol. Weight322.4
Melting Point178-180°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name(3S,3As,3'S,5R,8As,9R)-1-Methyl-3-Vinyl-1,2,3,3A,5,7,8,8A-Octahydrospiro[3,8,5-(Epiethane[1,1,2]Triyl)Oxepino[4,5-B]Pyrrole-4,3'-Indolin]-2'-One
MDL Number-
EC Number208-095-2
CAS Number509-15-9
Synonym (3R-(3a,4a,5a,8a,8a,9S*,10S*))-5-Ethenyl-3,4,4a,5,6,7,8,8a-octahydro-7-methylspiro(3,5,8-ethanylylidene-1H-pyrano(3,4-c)pyridine-10,3'-(3H)indol)-2'(1',H)-one Gelsemin Gelsemine
Chemical Name Translation(3S,3aS,3'S,5R,8aS,9R)-1-甲基-3-乙烯基-1,2,3,3a,5,7,8,8a-八氢螺[3,8,5-(epiethane[1,1,2]三基)oxepino[4,5-b]吡咯-4,3'-吲哚]-2'-酮
Beilstein Registry Number5406576
Canonical SMILES-
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安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P350
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
Hazard statements
  • H330 Fatal if inhaled 吸入致命
  • H310 Fatal in contact with skin 皮肤接触致命
  • H300 Fatal if swallowed 吞食致命
RTECSLX9100000
Signal word
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 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 60 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DUSA** "Dispensatory of the United States of America," 24th ed., Osol, A.
   and G.E. Farrar, Philadelphia, J.B. Lippincott Co., 1947
   Volume(issue)/page/year: 24,497,1947

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 49 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 7,349,1957

UN Number
Hazard Codes
Safety Statements
Risk Statements
Packing GroupII
Storage condition -20 -20°C

系列性分类

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