Penbutolol

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Names

[ CAS No. ]:
38363-40-5

[ Name ]:
Penbutolol

Chemical & Physical Properties

[ Density]:
1.03g/cm3

[ Boiling Point ]:
438.2ºC at 760mmHg

[ Molecular Formula ]:
C18H29NO2

[ Molecular Weight ]:
291.42800

[ Flash Point ]:
218.8ºC

[ Exact Mass ]:
291.22000

[ PSA ]:
41.49000

[ LogP ]:
3.86290

[ Index of Refraction ]:
1.527

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA9818500
CHEMICAL NAME :
2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino) -, (S)-
CAS REGISTRY NUMBER :
38363-40-5
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C18-H29-N-O2
MOLECULAR WEIGHT :
291.48
WISWESSER LINE NOTATION :
L5TJ AR BO1YQ1MX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1265 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
17 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
40 ug/plate
REFERENCE :
DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 12,77,1989

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Cyclopentylphenol
  • tert-Butylamine
  • (R)-4-((2-cyclopentylphenoxy)methyl)-1,3,2-dioxathiolane 2,2-dioxide
  • Cyclopentanol
  • Allyl 2-cyclopentylphenyl ether
  • Phenol

DownStream

Related Compounds

  • Penbutolol
  • (+)-Penbutolol
  • rac Penbutolol
  • (±)-Penbutolol-d9
  • Penbutolol sulfate
  • penbutolol sulfate
  • 6-Bromo-7-chloroimidazo[1,2-a]pyridine-3-carboxylic acid
  • tert-butyl N-(2-azidoethyl)-N-[2-[[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]amino]-2-oxo-ethyl]carbamate
  • 1-(Hydroxymethyl)-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
  • tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-[2-[[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]amino]-2-oxo-ethyl]carbamate
  • 3,4-Dihydro-7-hydroxy-8-(3-methylbutyl)-4-phenyl-2H-1-benzopyran-2-one
  • 1-(3-Bromophenyl)-4-(methyl-d3)piperazine
  • (S)-1-Boc-2-(n-methyl-d3-aminomethyl)-pyrrolidine
  • N-[4-[5-[(Dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
  • tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-[3-[[2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindolin-4-yl]amino]-3-oxo-propyl]carbamate
  • 3-Amino-2-(1-methylcyclohexyl)propanoic acid
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