DARUNAVIR ETHANOLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2006)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 33O78XF0BW

Structure
InChI Key QWSHKNICRJHQCY-VBTXLZOXSA-N
Smile CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
9.56
General disorders and administration site conditions
8.94
Pregnancy, puerperium and perinatal conditions
8.92
Gastrointestinal disorders
6.67
Investigations
6.21
Nervous system disorders
5.81
Skin and subcutaneous tissue disorders
5.6
Metabolism and nutrition disorders
5.16
Infections and infestations
5.06
Vascular disorders
3.86
Renal and urinary disorders
3.76
Hepatobiliary disorders
3.37
Musculoskeletal and connective tissue disorders
3.26
Respiratory, thoracic and mediastinal disorders
3.25
Cardiac disorders
3.12
Congenital, familial and genetic disorders
2.81
Psychiatric disorders
2.78
Blood and lymphatic system disorders
2.72
Immune system disorders
2.54

Cross References

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