(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Modify Date: 2024-03-02 19:36:28

(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide Structure
(4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide structure
Common Name (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CAS Number 79-85-6 Molecular Weight 444.43500
Density 1.64 g/cm3 Boiling Point 682.8ºC at 760 mmHg
Molecular Formula C22H24N2O8 Melting Point N/A
MSDS N/A Flash Point 366.7ºC

 Names

Name (4R,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.64 g/cm3
Boiling Point 682.8ºC at 760 mmHg
Molecular Formula C22H24N2O8
Molecular Weight 444.43500
Flash Point 366.7ºC
Exact Mass 444.15300
PSA 181.62000
LogP 0.48590
Index of Refraction 1.74

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI9277680
CHEMICAL NAME :
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11 -dioxo-6- methyl-3,6,10,12,12a-pentahydroxy-, 4-epimer
CAS REGISTRY NUMBER :
79-85-6
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C22-H24-N2-O8
MOLECULAR WEIGHT :
444.48

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 :
85800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHHPAL Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1953- Suspended 1966-78. Volume(issue)/page/year: 13,244,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
84800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
40YJAX "Evaluation of Embryotoxicity, Mutagenicity and Carcinogenicity Risks In New Drugs, Proceedings of the Symposium on Toxicological Testing for Safety of New Drugs, 3rd, Prague, 1976," Benesova, O., et al., eds., Prague, Czechoslovakia, Univerzita Karlova, 1979 Volume(issue)/page/year: -,55,1979

 Synonyms

4-epi-tetracycline
4'epi-N-TFA-daunorubicin
Daunorubicin,N-(trifluoro-acetyl)
(4aS)-4t-dimethylamino-3,6t,10,12,12a-pentahydroxy-6c-methyl-1,11-dioxo-(4ar,5ac,12ac)-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid amide
4'epi-N-trifluoroacetyl-daunorubicin
Epi-tetracycline