Details of the Drug

General Information of Drug (ID: DMQ9SXU)

Drug Name

Vaxfectin

Synonyms

Vaccine adjuvant, Vical

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C81H163BrN3O10P
Canonical SMILES: CCCCC=CCCCCCCCCOCC(C[N+](C)(C)CCCN)OCCCCCCCCC=CCCCC.CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C.[Br-]
InChI: 1S/C45H90NO8P.C36H73N2O2.BrH/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)31-44(47)51-33-43(34-53-55(49,50)52-30-29-46)54-45(48)32-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4;1-5-7-9-11-13-15-17-19-21-23-25-27-32-39-35-36(34-38(3,4)31-29-30-37)40-33-28-26-24-22-20-18-16-14-12-10-8-6-2;/h35-43H,11-34,46H2,1-10H3,(H,49,50);11-14,36H,5-10,15-35,37H2,1-4H3;1H/q;+1;/p-1/b;13-11-,14-12-;/t37?,38?,39?,40?,41?,42?,43-;;/m1../s1
InChIKey: LTOCXIVQWDANEX-UXCYUTBZSA-M

Cross-matching ID

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.