Name: PENBUTOLOL SULFATE (200 MG)
SKU: 38363-32-5

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Basic Information

Molecular Structure:
CAS No.:	38363-32-5
Name:	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 NO_x and SO_x.
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 NO_x and SO_x.

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 .

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Chemistry

Toxicity Data With Reference

Safety Profile

Specification