Bictegravir sodiumProduct ingredient for Bictegravir

Name
Bictegravir sodium
Drug Entry
Bictegravir

Bictegravir is a recently approved investigational drug that has been used in trials studying the treatment of HIV-1 and HIV-2 infection. It has been approved for HIV-1 monotherapy combined with 2 other antiretrovirals in a single tablet.7

Accession Number
DBSALT002077
Structure
Synonyms
Not Available
UNII
4L5MP1Y7W7
CAS Number
1807988-02-8
Weight
Average: 471.368
Monoisotopic: 471.10179943
Chemical Formula
C21H17F3N3NaO5
InChI Key
WJNFBIVCQMPPJC-FQYDJHLKSA-M
InChI
InChI=1S/C21H18F3N3O5.Na/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28;/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30);/q;+1/p-1/t10-,11+,16+;/m0./s1
IUPAC Name
sodium (1S,11R,13R)-3,6-dioxo-7-{[(2,4,6-trifluorophenyl)methyl]carbamoyl}-12-oxa-2,9-diazatetracyclo[11.2.1.0^{2,11}.0^{4,9}]hexadeca-4,7-dien-5-olate
SMILES
[Na+].[O-]C1=C2N(C[C@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC2=C(F)C=C(F)C=C2F)C1=O
ChemSpider
48772870
ChEMBL
CHEMBL3989867
Predicted Properties
PropertyValueSource
Water Solubility0.0623 mg/mLALOGPS
logP2ALOGPS
logP1.36Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)9.81Chemaxon
pKa (Strongest Basic)-0.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area102.01 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity115.99 m3·mol-1Chemaxon
Polarizability40.77 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon