CHEBI:131180 - 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid

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ChEBI Name 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
ChEBI ID CHEBI:131180
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H22ClNO4
Net Charge 0
Average Mass 363.836
Monoisotopic Mass 363.12374
InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
InChIKey ZGGNJJJYUVRADP-ACJLOTCBSA-N
SMILES C[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC[C@@H](C2=CC(=CC=C2)Cl)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid (CHEBI:131180) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-2146 LINCS
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