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DIGOXIGENIN-3,12-DIACETATE

Names

[ CAS No. ]:
6078-59-7

[ 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)


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