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Basic Information
CAS No.: 38363-32-5
Name: PENBUTOLOL SULFATE (200 MG)
Molecular Structure:
Molecular Structure of 38363-32-5 (PENBUTOLOL SULFATE (200 MG))
Formula: C18H29NO2•1/2H2O4S
Molecular Weight: 340.47
Synonyms: Penbutolol sulfate (JP14/USP);1-(tert-Butylamino)-3-(o-cyclopentylphenoxy)propan-2-ol;Levatol (TN);PENBUTOLOL;2-Propanol, 1-(2-cyclopentylphenoxy)-3-((1,1-dimethylethyl)amino)-;Levatol;2-Propanol,1-(2-cyclopentylphenoxy)-3-[(1,1- dimethylethyl)amino]-,(S)-,sulfate (2:1) (salt);(2S)-1-(2-cyclopentylphenoxy)-3-(tert-butylamino)propan-2-ol;(2R)-1-(2-cyclopentylphenoxy)-3-(tert-butylamino)propan-2-ol; sulfuric acid;(?)-1-(tert-BUTYLAMINO)-3-(o-CYCLOPENTYLPHENOXYL)-2-PROPANOL SULFATE;HOE 893D;(?)-TERBUCLOMINE;
EINECS: 253-906-5
Density: g/cm3
Melting Point: 216-218℃ (Decomposition)
Boiling Point: 438.2°Cat760mmHg
Flash Point: 218.8°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and SOx.
PSA: 41.49000
LogP: 3.86290
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Chemistry

Product Name: Penbutolol sulfate (CAS NO.38363-32-5)


Molecular Formula: C36H60N2O8S
Molecular Weight: 680.9352g/mol
Mol File: 38363-32-5.mol
Boiling point: 438.2 °C at 760 mmHg
Flash Point: 218.8 °C
Enthalpy of Vaporization: 73.25 kJ/mol
Vapour Pressure: 1.87E-08 mmHg at 25°C
H-Bond Donor: 6
H-Bond Acceptor: 10
Structure Descriptors of Penbutolol sulfate (CAS NO.38363-32-5):
  IUPAC Name: (2R)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol; sulfuricacid
  Canonical SMILES: CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)O.CC(C)(C)NC(COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O
  Isomeric SMILES: CC(C)(C)NC[C@H](COC1=CC=CC=C1C2CCCC2)O.CC(C)(C)NC[C@H](COC1=CC=CC=C1C2CCCC2)O.OS(=O)(=O)O
  InChI: 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-;/m11./s1 
  InChIKey: FEDSNBHHWZEYTP-QQPYHFHTSA-N

Toxicity Data With Reference

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) 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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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

Safety Profile

Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and SOx.

Specification

 Penbutolol sulfate , its CAS NO. is 38363-32-5, the synonyms are Penbutolol ; (-)-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 ; UNII-US71433228 ; (S)-Bis(di-tert-butyl(3-(2-cyclopentylphenoxy)-2-
hydroxypropyl)ammonium) sulphate .