Basic information
- CAS
68107-82-4- Standard SMILES
CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1- InChIKey
GOEMGAFJFRBGGG-HNNXBMFYSA-N- Molecular formula
- C18H28N2O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.20490738
Names & identifiers
- Preferred name
- Acebutolol, (S)-
- IUPAC
- N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
- English name
- (-)-Acebutolol
- Molecular formula
- C18H28N2O4
- Molecular weight
- 336.43
Names & synonyms
S-AcebutololAcebutolol, (S)-68107-82-4UNII-1QW38XEE0N1QW38XEE0N(-)-ACEBUTOLOLDTXSID70872933Butanamide, N-(3-acetyl-4-((2S)-2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-BUTANAMIDE, N-(3-ACETYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-, (S)-RefChem:199326DTXCID10820473N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Show more names
Butanamide, N-[3-acetyl-4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-Butanamide, N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (S)-
N-{3-acetyl-4-[(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl}butanamide(S)-acebutololN-(3-Acetyl-4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamideNCGC00016827-01SCHEMBL3773CAS-34381-68-5CHEMBL1455097SCHEMBL29364336
Database identifiers
- CAS
68107-82-4- PubChem CID
- 155083
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 1 QW38XEE0N · 1QW38XEE0N
Chemistry & industry
Applications
UsesS-Acebutolol is the S-isomer of Acebutolol (A123800, HCl); a cardioselective β-adrenergic blocker. Also antihypertensive, antianginal, and antiarrhythmic (class II).
Suppliers2 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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