Cicloprolol
Basic information
- CAS
63659-12-1- Standard SMILES
CC(C)NCC(O)COc1ccc(OCCOCC2CC2)cc1- InChIKey
JNDJPKHYZWRRIS-UHFFFAOYSA-N- Molecular formula
- C18H29NO4
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.20965841
Overview
Cicloprolol is an aromatic ether.
Names & identifiers
- Preferred name
- Cicloprolol
- IUPAC
- 1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
- English name
- Cicloprolol
- Molecular formula
- C18H29NO4
- Molecular weight
- 323.43
Names & synonyms
Cicloprolol94651-09-9Cicloprololum1-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol1K2ACH4U3RSL 75117-10DTXSID708670261-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-(propan-2-ylamino)propan-2-olRefChem:918618DTXCID70815244Cicloprolol-d563659-12-1
Show more names
Cicloprolol (free base)( -)-1-(p-(2-(Cyclopropylmethoxy)ethoxy)phenoxy)-3-(isopropylamino)-2-propanol
91094-14-3SL 75-177-10Cicloprololum [Latin]Cicloprolol [INN:BAN]UNII-1K2ACH4U3R2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethoxy)phenoxy)-3-((1-methylethyl)amino)-CICLOPROLOL [INN]SL 75177-10
Database identifiers
- CAS
63659-12-1、91094-14-3、94651-09-9- PubChem CID
- 146294
- DTXSID
DTXSID70867026- ChEMBL
CHEMBL2110772- ChEBI
CHEBI:135377- UNII
- 1K2ACH4U3R
- Nikkaji
- J276.466K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- FDA UNII
- 1 K2ACH4U3R · 1K2ACH4U3R
Chemistry & industry
Applications
UsesAnti-adrenergic (β-receptor).
UsesCicloprolol is a cardioselective beta-1 agonist. Itexhibitspartial agonist activity at the beta 1-adrenoceptor and beta 2-adrenoceptor. It has been suggested thatshort-term administration ofCicloprololis safe in moderate heart failure.
Additional notes
DefinitionChEBI: Cicloprolol is an aromatic ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…