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Substance Name: Brilacidin tetrahydrochloride [USAN]
RN: 1224095-99-1
UNII: CM3HYX69SK
InChIKey: QTHBCQCKYVOFDR-PIJQHSLXSA-N

Classification Code

  • Antibiotic

Molecular Formula

  • C40-H50-F6-N14-O6.4Cl-H

Molecular Weight

  • 1082.7586
 
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Names and Synonyms

Name of Substance

  • Brilacidin tetrahydrochloride [USAN]

Synonyms

  • 4,6-Pyrimidinedicarboxamide, N4,N6-bis(3-((5-((aminoiminomethyl)amino)-1-oxopentyl)amino)-2-((3R)-3-pyrrolidinyloxy)-5-(trifluoromethyl)phenyl)-, hydrochloride (1:4)
  • Brilacidin tetrahydrochloride
  • PMX 30063
  • PMX-30063
  • PMX30063
  • UNII-CM3HYX69SK

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 1224095-99-1

FDA UNII

  • CM3HYX69SK

System Generated Number

  • 1224095991

Molecular Formulas

Molecular Formula

  • C40-H50-F6-N14-O6.4Cl-H

Molecular Formula Fragments

  • C40-H50-F6-N14-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C40H50F6N14O6.4ClH/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);4*1H/t23-,24-;;;;/m1..../s1

InChIKey

QTHBCQCKYVOFDR-PIJQHSLXSA-N

Smiles

Cl.Cl.Cl.Cl.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