Bictegravir sodiumProduct ingredient forBictegravir
- 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
-
Structure for Bictegravir sodium (DBSALT002077)
- 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
-
钠(13 1 s, 11 r, r) 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
- External Links
-
- ChemSpider
- 48772870
- ChEMBL
- CHEMBL3989867
- Predicted Properties
-
Property Value Source Water Solubility 0.0623 mg/mL ALOGPS logP 2 ALOGPS logP 1.36 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 9.81 Chemaxon pKa (Strongest Basic) -0.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 102.01 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 115.99 m3·mol-1 Chemaxon Polarizability 40.77 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon
