bictegravir (Q27270406)

UNII-8GB79LOJ07 (English)

14 October 2016

chemical formula

C₂₁H₁₈F₃N₃O₅

1 reference

UNII-8GB79LOJ07 (English)

14 October 2016

canonical SMILES

C1CC2CC1N3C(O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F

1 reference

UNII-8GB79LOJ07 (English)

14 October 2016

isomeric SMILES

C1C[C@@H]2C[C@H]1N3[C@H](O2)CN4C=C(C(=O)C(=C4C3=O)O)C(=O)NCC5=C(C=C(C=C5F)F)F

1 reference

UNII-8GB79LOJ07 (English)

LiverTox likelihood score

14 October 2016

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Bictegravir

last update

10 April 2019

catalog

CAS COVID-19 Anti-Viral Candidate Compounds

0 references

Identifiers

InChI

InChI=1S/C21H18F3N3O5/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)/t10-,11+,16+/m0/s1

1 reference

UNII-8GB79LOJ07 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-8GB79LOJ07 (English)

14 October 2016

2 references

UNII

8GB79LOJ07

bictegravir (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1611493-60-7

10 April 2021

1 reference

bictegravir (English)

14 October 2016

2 references

UNII-8GB79LOJ07 (English)

14 October 2016

ChEBI ID

172943

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C21H18F3N3O5/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)/t10-,11+,16+/m0/s1

SureChEMBL ID

SCHEMBL15914278

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

8GB79LOJ07

2 references

stated in

UNII

8GB79LOJ07

bictegravir (English)

14 October 2016