Molecular Identity
Droxidopa
(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
PubChem CID: 92974
Droxidopa is a serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension. It has a role as an antihypertensive agent, a prodrug and a vasoconstrictor agent. It is a L-tyrosine derivative and a member of catechols.
2D Structure
Properties
C9H11NO5
Molecular Formula
213.19
Molecular Weight
g/mol
213.0637
Exact Mass
Da
-3.2
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
6
H-Bond Acceptors
235
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1[C@H]([C@@H](C(=O)O)N)O)O)OSynonyms(20)
droxidopa23651-95-8L-DOPSDOPS(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acidNortherathreo-DopaserineL-threo-DOPSL-ThreodopsL-dihydroxyphenylserinedroxidopumSM 5688L-threo-dihydroxyphenylserineL-Tyrosine, beta,3-dihydroxy-, threo-CHEBI:31524
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Droxidopa
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