CAS 143-62-4|Digitoxigenin

Introduction：Basic information about CAS 143-62-4|Digitoxigenin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Digitoxigenin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles32
7. Synonyms

Common Name	Digitoxigenin
CAS Number	143-62-4	Molecular Weight	374.514
Density	1.2±0.1 g/cm3	Boiling Point	549.3±50.0 °C at 760 mmHg
Molecular Formula	C₂₃H₃₄O₄	Melting Point	253-255 °C (dec.)(lit.)
MSDS	ChineseUSA	Flash Point	188.2±23.6 °C
Symbol	GHS06	Signal Word	Danger

Names

Name	digitoxigenin
Synonym	More Synonyms

Digitoxigenin BiologicalActivity

Description	Digitoxigenin is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog	Research Areas >>Others

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	549.3±50.0 °C at 760 mmHg
Melting Point	253-255 °C (dec.)(lit.)
Molecular Formula	C₂₃H₃₄O₄
Molecular Weight	374.514
Flash Point	188.2±23.6 °C
Exact Mass	374.245697
PSA	66.76000
LogP	2.79
Vapour Pressure	0.0±3.4 mmHg at 25°C
Index of Refraction	1.591
InChIKey	XZTUSOXSLKTKJQ-CESUGQOBSA-N
SMILES	CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FH4975000

CHEMICAL NAME :: 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-

CAS REGISTRY NUMBER :: 143-62-4

BEILSTEIN REFERENCE NO. :: 0095448

LAST UPDATED :: 199612

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C23-H34-O4

MOLECULAR WEIGHT :: 374.57

WISWESSER LINE NOTATION :: L E5 B666TJ A1 E1 F- DT5OV CUTJ IQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1600 ug/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: 11,848,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 26170 ug/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Cardiac - other changes

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: 153,436,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11820 ug/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Cardiac - other changes

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: 153,436,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1131 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 37,775,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intracerebral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 187 ug/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: 11,908,1961

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 254 ug/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

REFERENCE :: JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 27,189,1938

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1419 ug/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - convulsions or effect on seizure threshold Cardiac - other changes

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: 153,436,1965

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 600 ug/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: 8,18,1960 *** REVIEWS *** TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,190,1963 TOXICOLOGY REVIEW CHIMAD Chimia. (Postfach 2027, CH-4001 Basel, Switzerland) V.1- 1947- Volume(issue)/page/year: 5,93,1951

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H300
Precautionary Statements	P264-P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T
Risk Phrases	R25:Toxic if swallowed.
Safety Phrases	S45
RIDADR	UN 3462 6.1/PG 2
WGK Germany	3
RTECS	FH4975000
Packaging Group	II
Hazard Class	6.1(a)

Articles32

Synthesis and evaluation of cardiac glycoside mimics as potential anticancer drugs.

Bioorg. Med. Chem. 19 , 2407-17, (2011)

The cardiac glycoside digitoxin, consisting of a steroid core linked to a labile trisaccharide, has been used for centuries for the treatment of congestive heart failure. The well known pharmacologica...

C3'/C4'-Stereochemical Effects of Digitoxigenin α-L-/α-D-Glycoside in Cancer Cytotoxicity.

ChemMedChem 8 , 63, (2013)

Sweet'n low in stereo: A Wharton reaction was employed along with a diastereoselective palladium-catalyzed glycosylation and other post-glycosylation transformations to synthesize digitoxin analogues....

Assembly of digitoxin by gold(I)-catalyzed glycosidation of glycosyl o-alkynylbenzoates.

J. Org. Chem. 76 , 9748, (2011)

Digitoxin, a clinically important cardiac trisaccharide, was assembled efficiently from digitoxigenin and 3,4-di-O-tert-butyldiphenylsilyl-d-digitoxosyl o-cyclopropylethynylbenzoate in 9 steps and 52%...

Synonyms

Digitoxigenin

4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2(5H)-furanone

EINECS 205-603-4

Echujetin

Thevetigenin

3b,14-Dihydroxy-5b-card-20(22)-enolide

(3β,5β)-3,14-Dihydroxycard-20(22)-ènolide

card-20(22)-enolide, 3,14-dihydroxy-, (3b,5b)-

Cerberigenin

D20:22-3,14,21-Trihydroxynorcholenic Acid Lactone

4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-2(5H)-furanone

(3β,5β)-3,14-Dihydroxycard-20(22)-enolide

Card-20(22)-enolide, 3,14-dihydroxy-, (3β,5β)-

(3b,5b)-3,14-dihydroxycard-20(22)-enolide

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

MFCD00003687

δ20:22-3,14,21-Trihydroxynorcholenic acid lactone

4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2(5H)-furanon

Evonogenin

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