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Substance Name: Iseganan hydrochloride [USAN:INN]
RN: 244015-05-2
UNII: 1AAO72P26F
InChIKey: ZYXRBIMTMVZFBC-KRDVWEALSA-N

Note

  • A structural analog of protegrin-1; reduces the local microflora densities & may improve clinical outcomes in patients at risk for the development of oral mucositis.

Molecular Formula

  • C78-H126-N30-O18-S4.Cl-H.H2-O

Molecular Weight

  • 1954.7851
 

Classification Codes

  • Aerosol Formulation for Control of Infections in Patients with Cystic Fibrosis
  • Antimicrobial Peptide Intended for use in the Reduction in the Severity of Oral Mucositis
  • Oral Decontamination in Ventilator-Associated Pneumonia
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Names and Synonyms

Name of Substance

  • Antimicrobial peptide IB-367
  • Iseganan hydrochloride [USAN:INN]

Synonyms

  • IB-367-03
  • Iseganan hydrochloride
  • L-Argininamide, L-arginylglycylglycyl-L-leucyl-L-cysteinyl-L-tyrosyl-L-cysteinyl-L-arginylglycyl-L-arginyl-L-phenylalanyl-L-cysteinyl-L-valyl-L-cysteinyl-L-valylglycyl-, cyclic (5-14), (7-12)-bis(disulfide), hydrochloride, hydrate
  • UNII-1AAO72P26F

Systematic Name

  • L-argininamide, L-arginylglycylglycyl-L-leucyl-L-cysteinyl-L-tyrosyl-L-cysteinyl-L-arginylglycyl-L-arginyl-L-phenylalanyl-L-cysteinyl-L-valyl-L-cysteinyl-L-valylglycyl-, cyclic (5-14), (7-12)-bis(disulfide), hydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 244015-05-2

FDA UNII

  • 1AAO72P26F

System Generated Number

  • 0244015052

Molecular Formulas

Molecular Formula

  • C78-H126-N30-O18-S4.Cl-H.H2-O

Molecular Formula Fragments

  • C78-H126-N30-O18-S4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C78H126N30O18S4.ClH.H2O/c1-39(2)28-49(99-57(111)32-93-56(110)31-94-63(115)45(79)16-10-24-89-75(81)82)66(118)103-53-36-128-130-38-55(72(124)107-60(40(3)4)73(125)96-34-58(112)97-46(62(80)114)17-11-25-90-76(83)84)106-74(126)61(41(5)6)108-71(123)54-37-129-127-35-52(104-68(120)51(102-70(53)122)30-43-20-22-44(109)23-21-43)69(121)100-47(18-12-26-91-77(85)86)64(116)95-33-59(113)98-48(19-13-27-92-78(87)88)65(117)101-50(67(119)105-54)29-42-14-8-7-9-15-42;;/h7-9,14-15,20-23,39-41,45-55,60-61,109H,10-13,16-19,24-38,79H2,1-6H3,(H2,80,114)(H,93,110)(H,94,115)(H,95,116)(H,96,125)(H,97,112)(H,98,113)(H,99,111)(H,100,121)(H,101,117)(H,102,122)(H,103,118)(H,104,120)(H,105,119)(H,106,126)(H,107,124)(H,108,123)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92);1H;1H2/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-;;/m0../s1

InChIKey

ZYXRBIMTMVZFBC-KRDVWEALSA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc3ccccc3)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)Cc4ccc(cc4)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N.O.Cl