Butanoic acid,1,1',1''-[(2R,3R,4R,5S)-1-butyl-2-[(1-oxobutoxy)methyl]-3,4,5-piperidinetriyl]ester
Names
[ CAS No. ]:
131262-82-3
[ Name ]:
Butanoic acid,1,1',1''-[(2R,3R,4R,5S)-1-butyl-2-[(1-oxobutoxy)methyl]-3,4,5-piperidinetriyl]ester
[Synonym ]:
Perbutylated-N-butyl-1-deoxynojiromycin
N-Butyl DNJ Prodrug
Glycovir
DRG-0193
Butanoic acid,1-butyl-2-((1-oxobutoxy)methyl)-3,4,5-piperidinetriyl ester,(2R-(2alpha,3beta,4alpha,5beta))
Chemical & Physical Properties
[ Density]:
1.09g/cm3
[ Boiling Point ]:
524ºC at 760mmHg
[ Molecular Formula ]:
C26H45NO8
[ Molecular Weight ]:
499.63700
[ Flash Point ]:
270.7ºC
[ Exact Mass ]:
499.31500
[ PSA ]:
108.44000
[ LogP ]:
3.88760
[ Vapour Pressure ]:
4.48E-11mmHg at 25°C
[ Index of Refraction ]:
1.488
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EK7713970
- CHEMICAL NAME :
- Butanoic acid, 1-butyl-2-((1-oxobutoxy)methyl)-3,4,5-piperidinetriyl ester, (2R-(2alpha,3beta,4alpha,5beta))-
- CAS REGISTRY NUMBER :
- 131262-82-3
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C26-H45-N-O8
- MOLECULAR WEIGHT :
- 499.72
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 103 gm/kg/4W-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of salivary glands Gastrointestinal - changes in structure or function of endocrine pancreas Gastrointestinal - other changes
- REFERENCE :
- TOPADD Toxicologic Pathology. (c/o Dr. F.A. de la Iglesia, Warner-Lambert Co., Pharmaceutical Research Div., POB 1047, Ann Arbor, MI 48106) V.6(3/4)- 1978- Volume(issue)/page/year: 24,531,1996
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 218 gm/kg/26W-I
- TOXIC EFFECTS :
- Gastrointestinal - changes in structure or function of endocrine pancreas Gastrointestinal - other changes Endocrine - other changes
- REFERENCE :
- TOPADD Toxicologic Pathology. (c/o Dr. F.A. de la Iglesia, Warner-Lambert Co., Pharmaceutical Research Div., POB 1047, Ann Arbor, MI 48106) V.6(3/4)- 1978- Volume(issue)/page/year: 24,531,1996