BIRICODAR DICITRATE

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Synonyms
Status
Molecule Category Salt-form
UNII 9WQP0L619L

Structure

InChI Key VDMKJSJJXQDICL-ZXVJYWQYSA-N
Smiles COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc(OC)c1OC.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C34H41N3O7.2C6H8O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H57N3O21
Molecular Weight 987.96
AlogP 5.02
Hydrogen Bond Acceptor 9.0
Number of Rotational Bond 15.0
Polar Surface Area 117.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 44.0

Cross References

Resources Reference
ChEMBL CHEMBL2104406
FDA SRS 9WQP0L619L
PubChem 9963148
SureChEMBL SCHEMBL355913
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