ZOSUQUIDAR TRIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 813AGY3126
EPA CompTox DTXSID1057662
Parent Compound: ZOSUQUIDAR

Structure

InChI Key ZPFVQKPWGDRLHL-WITOOOCMSA-N
Smiles Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1
InChI
InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31-;;;/m1.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H34Cl3F2N3O2
Molecular Weight 637.0
AlogP 5.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 48.83
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 39.0

Cross References

Resources Reference
ChEMBL CHEMBL2074689
FDA SRS 813AGY3126
SureChEMBL SCHEMBL4958412
CONTENTS