N-Deacetylthiocolchicine (S)-7-氨基-1,2,3-三甲氧基-10-(甲硫基)-6,7-二氢苯并[a]庚烯9(5H)-酮

CAS 2731-16-0 MFCD01736970

化学结构图

2731-16-0
SMILES: COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](N)CC2

化学属性

Mol. FormulaC20H23NO4S
Mol. Weight373.47
Melting Point198 °C
Boiling Point631.6±55.0 °C at 760 mmHg

别名和识别编码

Chemical Name(S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
InChIKeyNUNCOHUMTCDISK-AWEZNQCLSA-N
Wiswesser Line NotationL B677 MV&T&J CO1 DO1 EO1 JZ NS1
Synonym (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {} {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one {} {} {} {} {} {} {} {} {LY} (S)-7-Amino-1,2,3-trimethoxy-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5H)-one
CAS Number2731-16-0
Beilstein Registry Number2822164
PubChem Substance ID17649
InChIInChI=1S/C20H23NO4S/c1-23-16-9-11-5-7-14(21)13-10-15(22)17(26-4)8-6-12(13)18(11)20(25-3)19(16)24-2/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1
Chemical Name Translation(S)-7-氨基-1,2,3-三甲氧基-10-(甲硫基)-6,7-二氢苯并[a]庚烯9(5H)-酮
Canonical SMILESCOC1=C(C(C([C@@H](N)CC2)=C3)=CC=C(SC)C3=O)C2=CC(OC)=C1OC
MDL NumberMFCD01736970
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安全信息

RTECSGH0875000
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2000 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 15,533,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 107,150,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 98,479,1958

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Human
DOSE/DURATION           : 71 ug/kg/D
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - nausea or vomiting
   Blood - leukopenia
REFERENCE :
   BAFEAG Bulletin de l'Association Francaise pour l'Etude du Cancer.  (Paris,
   France)  V.1-52, 1908-65. For publisher information, see BUCABS.
   Volume(

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Primate - monkey
DOSE                    : 6 mg/kg
SEX/DURATION            : female 13-14 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   ACEDAB Acta Endocrinologica, Supplementum (Copenhagen).  (Periodica,
   Skolegade 12 E, DK-2500 Valby, Denmark)  No.1-    1948-
   Volume(issue)/page/year: 166,435,1972

Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P301+P316
  • P304+P340
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P337+P317
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类


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