Biricodar Dicitrate
1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
Molecular Identity
Biricodar Dicitrate
1,7-dipyridin-3-ylheptan-4-yl (2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
PubChem CID: 9963148
2D Structure
Properties
C46H57N3O21
Molecular Formula
988.00
Molecular Weight
g/mol
987.3485
Exact Mass
Da
381
TPSA
May have limited oral absorption
8
H-Bond Donors
23
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCCC2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)OIsomeric SMILES
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)OSynonyms(20)
Biricodar dicitrate174254-13-8IncelBiricodar dicitrate [USAN]VX-710-3UNII-9WQP0L619L9WQP0L619LVX-710Biricodar dicitrate (USAN)BIRICODAR DICITRATE [MI]VX-71O-3BIRICODAR DICITRATE [WHO-DD]4-(3-Pyridinyl)-1-(3-(3-pyridinyl)propyl)butyl (S)-1-(oxo(3,4,5-trimethoxyphenyl)acetyl)-2-piperidinecarboxylate 2-hydroxy-1,2,3-propanetricarboxylate (1:2)4-(3-Pyridyl)-1-(3-(3-pyridyl)propyl)butyl (S)-1-((3,4,5-trimethoxyphenyl)glyoxyloyl)pipecolate, citrate (1:2)4-(3-Pyridyl)-1-[3-(3-pyridyl)propyl]butyl (S)-1-[(3,4,5-trimethoxyphenyl)glyoxyloyl]pipecolate, citrate (1:2)
Data from PubChem (NCBI)
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