Basic information
- CAS
87129-71-3- Standard SMILES
COCCc1ccc(OCC(O)C(C)(C)N)cc1- InChIKey
LAWLHMWODZUZJH-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.1677936
Names & identifiers
- Preferred name
- Arnolol
- IUPAC
- 3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methylbutan-2-ol
- English name
- Arnolol
- Molecular formula
- C14H23NO3
- Molecular weight
- 253.34
Names & synonyms
Arnolol87129-71-3Arnololum98HS077RUPDTXSID808689632-Butanol, 3-amino-1-(4-(2-methoxyethyl)phenoxy)-3-methyl-RefChem:114147DTXCID40817013BDF 75844-(2-methoxyethylphenoxy)-3-amino-3-methylbutan-2-olArnolol [INN]3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methylbutan-2-ol
Show more names
2-Butanol, 3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methyl-1-[4-(2-methoxyethyl)-phenoxy]-3-amino-3-methyl-butan-2-ol
3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methyl-2-butanol2-Butanol,3-amino-1-[4-(2-methoxyethyl)phenoxy]-3-methyl-Arnololum [Latin]UNII-98HS077RUPorb1741002SCHEMBL1253228CHEMBL1742421LAWLHMWODZUZJH-UHFFFAOYSA-N
Database identifiers
- CAS
87129-71-3- PubChem CID
- 65653
- DTXSID
DTXSID80868963- ChEMBL
CHEMBL1742421- UNII
- 98HS077RUP
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- FDA UNII
- 98 HS077RUP · 98HS077RUP
Chemistry & industry
Applications
UsesArnolol is a beta blocker with a pressure-lowering action[1].
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
3 records
Compound notes
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