Spirendolol
Basic information
- CAS
65429-87-0- Standard SMILES
CC(C)(C)NCC(O)COc1cccc2c1CC1(CCCCC1)C2=O- InChIKey
YLBMSIZZTJEEIO-UHFFFAOYSA-N- Molecular formula
- C21H31NO3
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.23039385
Names & identifiers
- Preferred name
- Spirendolol
- IUPAC
- 4-[3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one
- English name
- Spirendolol
- Molecular formula
- C21H31NO3
- Molecular weight
- 345.48
Names & synonyms
Spirendolol65429-87-0SpirendololumespirendololSUBSTANCE-32468LI-32-468S-32-46896789094BRspirendalolRefChem:1847594'-(3-tert-butylamino-2-hydroxypropoxy)spiro(cyclohexane-1,2'-indan)-1'oneSpirendolol [INN]
Show more names
4-[3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-oneLi 32-468;S 32-468;Substance 32468Spirendololum [INN-Latin]4-(3-tert-Butylamino-2-hydroxypropoxy)spiro(cyclohexane-1,2-indan)-1-oneUNII-96789094BRorb1706612SCHEMBL7267192CHEMBL1742454
Database identifiers
- CAS
65429-87-0、81840-58-6- PubChem CID
- 68857
- DTXSID
DTXSID40867154- ChEMBL
CHEMBL1742454- UNII
- 96789094BR
- Nikkaji
- J1.768.267I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- FDA UNII
- 96789094 BR · 96789094BR
Related reactions
1 records
Compound notes
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