CAS 71-63-6 MFCD00003686-Digitoxin 洋地黄毒苷 TAO{mole}

Digitoxin 洋地黄毒苷

CAS 71-63-6 MFCD00003686

化学结构图

SMILES: C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O

化学属性

Mol. Formula	C41H64O13
Mol. Weight	764.94
Melting Point	240 °C (dec.)(lit.)
Density	1.422

别名和识别编码

Chemical Name	Digitoxin
CAS Number	71-63-6
Synonym	Crystalline digitalin 5β,20(22)-Cardenolide-3β,14-diol-3-(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy Acedoxin Purpurid Digitoxoside Monodigitoxoside Digitoxigenin tridigitoxoside 洋地黄毒苷 Digitoxigenin-tridigitoxosid Mono-glycocard Unidigin Digisidin Tri-digitoxoside Digimerck Digitoxinum Carditalin Mono-digitoxid Tardigal (3?,5?)-3-[(O-2,6-Dideoxy-?-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-?-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-?-D-ribo-hexopyranosyl)oxyl]-14-hydroxycard-20(22)-enolide Asthenthilo Glucodigin Digitalin Cardigin Crystodigin Cardit Digitrin Crystalline 洋地黄毒甙 Digitophyllin Ditaven Cristapurat Cardidigin Lanatoxin Carditoxin Myodigin
PubChem Substance ID	441207
EC Number	200-760-5
Beilstein Registry Number	76678
MDL Number	MFCD00003686
Chemical Name Translation	洋地黄毒苷
Wiswesser Line Notation	L E5 B666TJ A1 E1 IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQCO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ
LabNetwork Molecule ID	LN01343864
InChI	InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1

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分类

{S
{SNA} Application In
{SNA} Application Index, Bioactive Small Molecule Alphabetical Index, Biochemicals and Reagents, Cell Signaling Enzymes, Conjugates, DIG-DY, Drug Efflux Pumps, Lipids, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, Sterol Lipids, Substrates, Substrates for Drug Efflux Pumps, Xenobiotics and Drug Metabolism, 生物活性小分子, 细胞信号转导和神经科学,
{SNA}
{SA} Application Index, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Conjugates,
{SNA} Application Index,
{SNA} Analytical Standards,
{SNA} Application Index,

产品应用

Cardiotonic.

安全信息

GHS Symbol

WGK Germany3

Hazard Codes T

Hazard statements

H331 Toxic if inhaled 吸入中毒
H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
H301 Toxic if swallowed 吞食有毒
H301+H331

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

RTECSIH2275000

Precautionary statements

P301+P310
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
P305+P351+P338

Signal word Danger Warning

Safety Statements

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）；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
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；

Risk Statements

R33 Danger of cumulative effects 有累积作用的危险
R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

UN Number 2811

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 1 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 11,613,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 3050 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJPAAZ Japanese Journal of Pharmacology.  (Japanese Pharmacological Soc.,
   c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto
   606, Japan)  V.1-    1951-  Volume(issue)/page/year: 9,91,1960

{hazard_c

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraduodenal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Cardiac - cardiomyopathy including infarction
   Cardiac - arrhythmias (including changes in conduction)
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 21,225,1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 325 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster,
   Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963  Volume(issue)/page/year:
   -,33,1963

TYP

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 200 ug/kg
SEX/DURATION            : female 27-30 week(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - other neonatal measures or effects
REFERENCE :
   AJCDAG American Journal of Cardiology.  (Technical Pub. Co., 875 Third Ave.,
   New York, NY 10022) V.1-    1958-  Volume(issue)/page/year: 6,834,1960