Ritobegron
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid
Molecular Identity
Ritobegron
2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid
PubChem CID: 9820882
2D Structure
Properties
C21H27NO5
Molecular Formula
373.40
Molecular Weight
g/mol
373.1889
Exact Mass
Da
0.7
XLogP
Drug-like (Lipinski: < 5)
99
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
452
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1OCC(=O)O)C)CCNC(C)C(C2=CC=C(C=C2)O)OIsomeric SMILES
SMILES: CC1=CC(=C(C=C1OCC(=O)O)C)CCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)OSynonyms(20)
Ritobegron255734-04-4LD86RKR53MKUC-7483(4-(2-(((1R,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl)amino)ethyl)-2,5-dimethylphenoxy)acetic acidDTXSID508702902-(4-(2-((2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-2,5-dimethylphenyloxy)acetic acid2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetic acid2-(4-(2-(((1R,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl)amino)ethyl)-2,5-dimethylphenoxy)acetic acidritobegronum[4-(2-{[(1R,2S)-1-Hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)-2,5-dimethylphenoxy]acetic acidRefChem:179512DTXCID501511320KUC-7322Ritobegron [INN]
Data from PubChem (NCBI)
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