Product Name: Exaprolol hydrochloride (CAS NO.59333-90-3)
Molecular Formula: C18H29NO2•ClH
Molecular Weight: 327.94g/mol
Mol File: 59333-90-3.mol
H-Bond Donor: 3
H-Bond Acceptor: 3
Structure Descriptors of Exaprolol hydrochloride (CAS NO.59333-90-3):
IUPAC Name: 1-(2-cyclohexylphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
Canonical SMILES: CC(C)NCC(COC1=CC=CC=C1C2CCCCC2)O.Cl
InChI: InChI=1S/C18H29NO2.ClH/c1-14(2)19-12-16(20)13-21-18-11-7-6-10-17(18)15-8-4-3-5-9-15;/h6-7,10-11,14-16,19-20H,3-5,8-9,12-13H2,1-2H3;1H
InChIKey: ODWXZMXQBDEIBF-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 78mg/kg (78mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 506, 1976. | |
mouse | LD50 | oral | 860mg/kg (860mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 506, 1976. | |
rat | LD50 | intraperitoneal | 54mg/kg (54mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 506, 1976. | |
rat | LD50 | oral | 1850mg/kg (1850mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 506, 1976. |
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
Exaprolol hydrochloride , its CAS NO. is 59333-90-3, the synonyms are (+-)-1-(o-Cyclohexylphenoxy)-3-(isopropylamino)-2-propanol hydrochloride ; 1-Isopropylamino-3-(2-cyclohexylphenoxy)-2-propanol hydrochloride ; Exaprolol HCl ; M.G. 8823 ; UNII-FGT82HNC7L ; 2-Propanol, 1-(2-cyclohexylphenoxy)-3-((1-methylethyl)amino)-, hydrochloride, (+-)- .
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