Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Brilacidin [USAN:INN]
RN: 1224095-98-0
UNII: I1679X069H
InChIKey: QPDYBCZNGUJZDK-DNQXCXABSA-N

Classification Code

  • Antibiotic

Molecular Formula

  • C40-H50-F6-N14-O6

Molecular Weight

  • 936.915
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Brilacidin [USAN:INN]

Synonyms

  • 4,6-Pyrimidinedicarboxamide, N4,N6-bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3R)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-
  • Brilacidin
  • PMX30063
  • UNII-I1679X069H

Systematic Name

  • N,N'-Bis(3-((5-(carbamimidoylamino)pentanoyl)amino)-2-((3R)-pyrrolidin-3-yloxy)-5-(trifluoromethyl)phenyl)pyrimidine-4,6-dicarboxamide

Registry Numbers

CAS Registry Number

  • 1224095-98-0

FDA UNII

  • I1679X069H

Other Registry Number

  • 1236042-13-9

System Generated Number

  • 1224095980

Structure Descriptors

InChI

1S/C40H50F6N14O6/c41-39(42,43)21-13-25(57-31(61)5-1-3-9-53-37(47)48)33(65-23-7-11-51-18-23)27(15-21)59-35(63)29-17-30(56-20-55-29)36(64)60-28-16-22(40(44,45)46)14-26(34(28)66-24-8-12-52-19-24)58-32(62)6-2-4-10-54-38(49)50/h13-17,20,23-24,51-52H,1-12,18-19H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H4,47,48,53)(H4,49,50,54)/t23-,24-/m1/s1

InChIKey

QPDYBCZNGUJZDK-DNQXCXABSA-N

Smiles

NC(=N)NCCCCC(=O)Nc1cc(cc(NC(=O)c2cc(ncn2)C(=O)Nc3cc(cc(NC(=O)CCCCNC(=N)N)c3O[C@@H]4CCNC4)C(F)(F)F)c1O[C@@H]5CCNC5)C(F)(F)F