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
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. |
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 , 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 .
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View