Card-20(22)-enolide,1,3,5,11,14,19-hexahydroxy-, (1b,3b,5b,11a)-

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Names

[ CAS No. ]:
508-52-1

[ Name ]:
Card-20(22)-enolide,1,3,5,11,14,19-hexahydroxy-, (1b,3b,5b,11a)-

[Synonym ]:
1BETA,3BETA,5ALPHA,11ALPHA,14,19-HEXA-HYDROXY-5BETA,20[22]-CARDENOLIDE
MFCD00057697
OUABAGENIN
Ouabain genin
G-STROPHANTHIDIN
1BETA,3BETA,5,11ALPHA,14,19-HEXAHYDROXY-5BETA-CARD-20[22]-ENOLIDE

Chemical & Physical Properties

[ Density]:
1.52g/cm3

[ Boiling Point ]:
714ºC at 760mmHg

[ Melting Point ]:
250-256ºC

[ Molecular Formula ]:
C₂₃H₃₄O₈

[ Molecular Weight ]:
438.51100

[ Flash Point ]:
246.9ºC

[ Exact Mass ]:
438.22500

[ PSA ]:
147.68000

[ Index of Refraction ]:
1.679

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FH5100000

CHEMICAL NAME :: 5-beta-Card-20(22)-enolide, 1-beta,3-beta,5,11-alpha,14,19-hexahydroxy-

CAS REGISTRY NUMBER :: 508-52-1

BEILSTEIN REFERENCE NO. :: 0060306

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C23-H34-O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03216

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 239 mg/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: 93,156,1948

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 230 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: 148,471,1964 *** REVIEWS *** TOXICOLOGY REVIEW CHIMAD Chimia. (Postfach 2027, CH-4001 Basel, Switzerland) V.1- 1947- Volume(issue)/page/year: 5,93,1951 TOXICOLOGY REVIEW 85ELDJ "Die Herzwirksamen Glykoside," Baumgarten, G., and W. Forster, Leipzig, Ger. Dem. Rep., VEB Georg Thieme, 1963 Volume(issue)/page/year: -,125,1963

Safety Information

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
23-28-33

[ Safety Phrases ]:
45

[ RIDADR ]:
UN 1544 6.1/PG 1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-((3R,3aR,5R,5bR,9aR,11S,12aS,14bS)-5,11,12a,14b-tetrahydroxy-3a,8,8-trimethylhexadecahydro-1H-cyclopenta[7,8]phenanthro[4,4a-d][1,3]dioxin-3-yl)furan-2(5H)-one
1,19-acetonide-3-(tert-butyldimethylsiloxy)ouabagenin
(3R,5R,8R,9S,10S,11R,13R,14S,17S)-17-(((tert-butyldiphenylsilyl)oxy)methyl)-3-(dimethyl(phenyl)silyl)-11,14-dihydroxy-10-(((4-methoxybenzyl)oxy)methyl)-13-methyltetradecahydro-1H-cyclopenta[a]phenanthrene-1,7(2H)-dione
(1R,3R,5R,8R,9S,10S,11R,13R,14S,17S)-17-(((tert-butyldiphenylsilyl)oxy)methyl)-3-(dimethyl(phenyl)silyl)-1,11,14-trihydroxy-10-(((4-methoxybenzyl)oxy)methyl)-13-methylhexadecahydro-7H-cyclopenta[a]phenanthren-7-one
4-((2aR,2bS,5R,5aR,7R,7aS,7bR,11aR,13S,16aS)-15-ethyl-2b,7-dihydroxy-5a,10,10-trimethyldodecahydro-1H,8H,13H-13,16a-methanocyclopenta[5,6]naphtho[2,1-d][1,3]dioxino[5,4-e][1,3,2]dioxaborocin-5-yl)furan-2(5H)-one