Celiprolol hydrochloride
Properties
- Molecular formula
- C20H34ClN3O4
- Molar mass
- 415.96 g/mol
- Exact mass
- 415.2238 Da
- Melting point
- 197–200 °C (decomposes)
- logP
- 3.33Crippen estimate
- Polar surface area
- 94.4 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 9
Hazards
- H412 Harmful to aquatic life with long lasting effects98.1% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P501
Identifiers
CAS number
57470-78-7SMILES
CCN(CC)C(O)=Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1.ClInChIKey
VKJHTUVLJYWAEY-UHFFFAOYSA-NInChI
InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Urea, N′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, hydrochloride (1:1)
- Urea, N′-[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-N,N-diethyl-, monohydrochloride
- ST 1396
- REV 5320A
- Celectol
- Selecor
- Corliprol
- NSC 324509
- Tenoloc
Work with Celiprolol hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Acebutolol hydrochloride34381-68-557 % similar
Acebutolol37517-30-953 % similar
Carteolol hydrochloride51781-21-645 % similar
Levobunolol47141-42-440 % similar
Nadolol42200-33-936 % similar
Propafenone hydrochloride34183-22-734 % similar
2-Acetyl-4-butyramidophenol40188-45-232 % similar
(+)-Timolol maleate26839-77-032 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds