Basic information
- CAS
114333-71-0- Standard SMILES
CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1cccc(Cl)c1- InChIKey
ZGGNJJJYUVRADP-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO4
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.1237359
Names & identifiers
- Preferred name
- (4-(2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid
- IUPAC
- 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
- English name
- BRL-37344
- Molecular formula
- C19H22ClNO4
- Molecular weight
- 363.84
Names & synonyms
(4-(2-((2-(3-Chlorophenyl)-2-hydroxyethyl)amino)propyl)phenoxy)acetic acid[4-(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)phenoxy]acetic acidRefChem:906086114333-71-0Brl-373442-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acidLopac0_000197CHEMBL13990orb1738089SCHEMBL3692642BDBM86450DTXSID20921329
Show more names
CAS_2437NSC_2437NCGC00163151-01NCGC00163151-07L000143[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]-acetic acidAcetic acid, 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]-
Database identifiers
- CAS
114333-71-0- PubChem CID
- 2437
- DTXSID
DTXSID20921329- ChEMBL
CHEMBL13990
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- FDA UNII
- 5 DZZ1926YW · 5DZZ1926YW
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that selectively bind to and activate beta-adrenergic receptors.
Suppliers6 total
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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