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
3-{N-ethyl-2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]butanamido}-2-methylpropanoic acid
(2S)-1-[2-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]pyrrolidine-2-carboxylic acid
6-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(methoxymethyl)butanamido]hexanoic acid
3-{3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]propanamido}hexanoic acid
2-amino-3-(2-cyclopropyl-1H-imidazol-1-yl)-2-methylpropanamide
2-amino-3-(4,5-dibromo-2-methyl-1H-imidazol-1-yl)propanamide
5-Bromo-6-chloro-2,1-benzoxazole-3-carboxylic acid
5-Bromo-6-chloro-2,1-benzoxazole-3-carbaldehyde
5-cyclopentyl-1-(2-methylpropyl)-1H-1,2,3-triazole-4-carboxylic acid
ethyl 5-cyclopentyl-1-ethyl-1H-1,2,3-triazole-4-carboxylate

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