Gefapixant Citrate
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Identity
Gefapixant Citrate
5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID: 145720531
2D Structure
Properties
C20H27N5O11S
Molecular Formula
545.50
Molecular Weight
g/mol
545.1428
Exact Mass
Da
297
TPSA
May have limited oral absorption
7
H-Bond Donors
16
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)OIsomeric SMILES
SMILES: CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)OSynonyms(20)
Gefapixant citrate2310299-91-1DFK0FC2VVVMK-7264AF-219 CITRATEMK7264 CITRATEMK-7264 CITRATEMK7264RefChem:922135Gefapixant citrate [USAN]Gefapixant (citrate)UNII-DFK0FC2VVVBenzenesulfonamide, 5-((2,4-diamino-5-pyrimidinyl)oxy)-2-methoxy-4-(1-methylethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)5-((2,4-Diaminopyrimidin-5-yl)oxy)-2-methoxy-4-(propan-2-yl)benzenesulfonamide 2-hydroxypropane-1,2,3-tricarboxylate (1:1)5-[(2,4-Diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)-benzenesulfonamide, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Data from PubChem (NCBI)
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