- Penbutolol
- Penbutolol sulfate
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| Name |
Penbutolol sulfate |
EINECS | 253-906-5 |
| CAS No. | 38363-32-5 | Density | g/cm3 |
| PSA | 41.49000 | LogP | 3.86290 |
| Solubility | N/A | Melting Point |
216-218℃ (Decomposition) |
| Formula | C18H29NO2•1/2H2O4S | Boiling Point | 438.2°Cat760mmHg |
| Molecular Weight | 340.47 | Flash Point | 218.8°C |
| Transport Information | N/A | Appearance | N/A |
| 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. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Penbutolol sulfate Chemical Properties
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
Penbutolol sulfate 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. |
Penbutolol sulfate 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.
Penbutolol sulfate 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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