(Q27257476)

Cabotegravir sodium (English)

14 October 2016

chemical formula

C₁₉H₁₆F₂N₃NaO₅

1 reference

Cabotegravir sodium (English)

14 October 2016

canonical SMILES

CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]

1 reference

Cabotegravir sodium (English)

14 October 2016

isomeric SMILES

C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+]

1 reference

Cabotegravir sodium (English)

InChI=1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

Cabotegravir sodium (English)

AEZBWGMXBKPGFP-KIUAEZIZSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Cabotegravir sodium (English)

14 October 2016

1 reference

UNII

3L12PT535M

cabotegravir sodium (English)

14 October 2016

1 reference

CABOTEGRAVIR SODIUM (English)

14 October 2016

2 references

Cabotegravir sodium (English)

matched by identifier from

14 October 2016

InChIKey

AEZBWGMXBKPGFP-KIUAEZIZSA-M

ChEBI ID

172948

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1

1 reference

Global Substance Registration System

CABOTEGRAVIR SODIUM (English)

14 October 2016

1 reference

2 references

UNII

3L12PT535M

cabotegravir sodium (English)