DIGOXIGENIN-3,12-DIACETATE

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Names

[ Name ]:
DIGOXIGENIN-3,12-DIACETATE

[Synonym ]:
digitoxigenin
[(3S,5R,10S,12R,13S,14S,17R)-12-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Digoxigenin diacetate
Diacetyldigoxigenin
3,12-Diacetyl-digoxingenin
3,12-Diacetyldigoxigenin

Chemical & Physical Properties

[ Density]:
1.24g/cm3

[ Boiling Point ]:
589.2ºC at 760 mmHg

[ Melting Point ]:
223ºC

[ Molecular Formula ]:
C₂₇H₃₈O₇

[ Molecular Weight ]:
474.58600

[ Flash Point ]:
190.9ºC

[ Exact Mass ]:
474.26200

[ PSA ]:
99.13000

[ LogP ]:
3.71670

[ Index of Refraction ]:
1.562

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: FH5415000

CHEMICAL NAME :: 5-beta-Card-20(22)-enolide, 3-beta,12-beta,14-trihydroxy-, 3,12-diacetate

CAS REGISTRY NUMBER :: 6078-59-7

LAST UPDATED :: 198806

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C27-H38-O7

MOLECULAR WEIGHT :: 474.65

WISWESSER LINE NOTATION :: L E5 B666TJ A1 E1 DOV1 IQ OOV1 F- DT5OV EHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 4790 ug/kg

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

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 18,311,1962

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 20200 ug/kg

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

REFERENCE :: BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 18,311,1962

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

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Bird - pigeon

DOSE/DURATION :: 10 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: 8,18,1960

Safety Information

[ RIDADR ]:
UN 2811

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

Related Compounds

Deoxycholic acid chloride 3,12-diacetate
Methyl 3,12-bis(acetyloxy)-6-oxochol-7-en-24-oate
2,3,12-trimethoxy-7,7-dimethyl-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-7-ium iodide
2,3,12,13-tetramethyl-5,10-dimethylenetetradeca-2,12-diene
1-hexacosanoyl-d4-2-hydroxy-sn-glycero-3-phosphocholine
ETHYL 3,12-DIHYDROXY-7-KETOCHOLANATE