FOSAMPRENAVIR CALCIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ID1GU2627N
EPA CompTox DTXSID0046777
Parent Compound: FOSAMPRENAVIR

Structure

InChI Key PMDQGYMGQKTCSX-HQROKSDRSA-L
Smiles CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2]
InChI
InChI=1S/C25H36N3O9PS.Ca/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);/q;+2/p-2/t21-,23-,24+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34CaN3O9PS
Molecular Weight 623.68
AlogP 2.52
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 177.72
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Human immunodeficiency virus type 1 protease inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL1200734
FDA SRS ID1GU2627N
PubChem 131535
SureChEMBL SCHEMBL1649283
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