Butanoic acid,1,1',1''-[(2R,3R,4R,5S)-1-butyl-2-[(1-oxobutoxy)methyl]-3,4,5-piperidinetriyl]ester

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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

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 4-amino-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
  • N-benzyl-3-chloro-N-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
  • tert-Butyl-DL-alanine