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Substance Name: Penbutolol sulfate [USAN:USP:JAN]
RN: 38363-32-5
UNII: US71433228
InChIKey: FEDSNBHHWZEYTP-ZFQYHYQMSA-N

Classification Codes

  • Anti-Adrenergic (beta-Receptor)
  • Mutation Data

Molecular Formula

  • C18-H29-N-O2.1/2H2-O4-S

Molecular Weight

  • 680.942
 

Names and Synonyms

Name of Substance

  • Penbutolol sulfate [USAN:USP:JAN]

Synonyms

  • (-)-1-(tert-Butylamino)-3-(o-cyclopentylphenoxyl)-2-propanol sulfate
  • (-)-Terbuclomine
  • (S)-1-(2-Cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-2-propanol sulfate (2:1) (salt)
  • (S)-1-(tert-Butylamino)-3-(o-cyclopentylphenoxy)-2-propanol sulfate (2:1) (salt)
  • 2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-, sulfate (2:1) (salt)
  • CCRIS 1108
  • EINECS 253-906-5
  • HOE 39-893d
  • HOE 893D
  • Levatol
  • Penbutolol sulfate
  • Penbutolol sulfato
  • Penbutolol sulfato [Spanish]
  • UNII-US71433228

Systematic Names

  • (S)-Bis(di-tert-butyl(3-(2-cyclopentylphenoxy)-2-hydroxypropyl)ammonium) sulphate
  • 2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-, (S)-, sulfate (2:1) (salt)
  • Penbutolol sulfate

Registry Numbers

CAS Registry Number

  • 38363-32-5

FDA UNII

  • US71433228

Other Registry Numbers

  • 42208-19-5
  • 52767-15-4

Related Registry Number

  • 36507-48-9 (Parent)

System Generated Number

  • 0038363325

Molecular Formulas

Molecular Formula

  • C18-H29-N-O2.1/2H2-O4-S

Molecular Formula Fragments

  • C18-H29-N-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C18H29NO2.H2O4S/c2*1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h2*6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/t2*15-;/m00./s1

InChIKey

FEDSNBHHWZEYTP-ZFQYHYQMSA-N

Smiles

c1(c(OC[C@H](CNC(C)(C)C)O)cccc1)C1CCCC1.OS(=O)(=O)O.c1(c(OC[C@H](CNC(C)(C)C)O)cccc1)C1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 384mg/kg (384mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
mouse LD50 intraperitoneal 71mg/kg (71mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
mouse LD50 intravenous 38mg/kg (38mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
mouse LD50 oral 1230mg/kg (1230mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
mouse LD50 oral 1230mg/kg (1230mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
mouse LD50 subcutaneous 405mg/kg (405mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
rabbit LD50 intravenous 17mg/kg (17mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
rabbit LD50 oral 297mg/kg (297mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 16, Pg. 590, 1985.
rat LD50 intraperitoneal 76mg/kg (76mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
rat LD50 intravenous 26mg/kg (26mg/kg)   Yakkyoku. Pharmacy. Vol. 36, Pg. 657, 1985.
rat LD50 oral 1350mg/kg (1350mg/kg)   Yakkyoku. Pharmacy. Vol. 36, Pg. 657, 1985.
rat LD50 subcutaneous 860mg/kg (860mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.
rat LD50 subcutaneous 860mg/kg (860mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Oyo Yakuri. Pharmacometrics. Vol. 21, Pg. 1001, 1981.