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1111-39-3

1111-39-3 structure
1111-39-3 structure
  • Name: acetyldigitoxin
  • Chemical Name: 3'''-O-acetyldigitoxin
  • CAS Number: 1111-39-3
  • Molecular Formula: C43H66O14
  • Molecular Weight: 806.97600
  • Catalog: API Circulatory system medication Anti-congestive heart failure medicine
  • Create Date: 2018-09-18 10:29:46
  • Modify Date: 2024-01-03 00:33:37
  • Acetyldigitoxin (Digitoxin 3'''-Acetate) is a cardiac glycoside. Acetyldigitoxin can come from the leaves of Digitalis species. Acetyldigitoxin reduces the heart rate and can be used for cardiac failure rasearch[1][2].
Name 3'''-O-acetyldigitoxin
Synonyms Acetildigitoxina
3'''-Acetyldigitoxin
Digitoxigenin 3-O-bisdigitoxosidoacetodigitoxoside
Acetyldigitoxinum
3'"-O-acetyl digitoxin
digitoxin 3"'-acetate
EINECS 214-178-4
ACETYLDIGITOXIN
acylanid
adicin
Acedigal
Acetyl-digitoxine
Description Acetyldigitoxin (Digitoxin 3'''-Acetate) is a cardiac glycoside. Acetyldigitoxin can come from the leaves of Digitalis species. Acetyldigitoxin reduces the heart rate and can be used for cardiac failure rasearch[1][2].
Related Catalog
References

[1]. LU FC, et, al. A comparative study on some pharmacological effects of digitoxin, acetyldigitoxin and gitalin (amorphous) in cats. J Pharm Pharmacol. 1958 Jun;10(6):375-9.

[2]. APPEL RM, et, al. A preliminary phytochemical investigation of Digitalis ferruginea. J Am Pharm Assoc Am Pharm Assoc. 1954 Apr;43(4):215-9.
Density 1.31g/cm3
Boiling Point 902.2ºC at 760 mmHg
Melting Point 217-221°
Molecular Formula C43H66O14
Molecular Weight 806.97600
Flash Point 265ºC
Exact Mass 806.44500
PSA 188.90000
LogP 3.81810
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.582

CHEMICAL IDENTIFICATION

RTECS NUMBER :
IH2450000
CHEMICAL NAME :
Digitoxin, acetate, alpha-
CAS REGISTRY NUMBER :
1111-39-3
BEILSTEIN REFERENCE NO. :
0077291
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C43-H66-O14
MOLECULAR WEIGHT :
807.09
WISWESSER LINE NOTATION :
L E5 B666TJ A1 E1 IOV1 F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,58,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2780 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - food intake (animal) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 43,170,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 159,1,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
514 ug/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: 111,365,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 159,1,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1700 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,481,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
2800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 43,170,1980 *** REVIEWS *** TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,187,1963
RIDADR UN 3249
Packaging Group II
Hazard Class 6.1(a)
25876-27-1 structure

25876-27-1

~%

1111-39-3 structure

1111-39-3

Literature: Yoshida, Keisuke; Furuta, Takumi; Kawabata, Takeo Tetrahedron Letters, 2010 , vol. 51, # 37 p. 4830 - 4832
110-86-1 structure

110-86-1

71-63-6 structure

71-63-6

~%

1111-39-3 structure

1111-39-3

Literature: Satoh et al. Pharmaceutical Bulletin, 1957 , vol. 5, p. 627

Chemsrc provides CAS#:1111-39-3 MSDS, density, melting point, boiling point, structure, formula, molecular weight, synthetic route, etc.
title: CAS No. 1111-39-3 | Chemsrc address: https://www.chemsrc.com/en/baike/279492.html

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