DARUNAVIR ETHANOLATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 33O78XF0BW

Structure

InChI Key QWSHKNICRJHQCY-VBTXLZOXSA-N
Smiles CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1.CCO
InChI
InChI=1S/C27H37N3O7S.C2H6O/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H43N3O8S
Molecular Weight 593.74
AlogP 2.38
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 140.42
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 38.0

Pharmacology

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

Cross References

Resources Reference
ChEMBL CHEMBL1201127
FDA SRS 33O78XF0BW
PubChem 23725083
SureChEMBL SCHEMBL562454
CONTENTS