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Substance Name: Anatibant [INN]
RN: 209733-45-9
UNII: CLO4JRD21F
InChIKey: XUHBBTKJWIBQMY-MHZLTWQESA-N

Note

  • A potent non-peptide bradykinin B2 receptor antagonist.

Classification Codes

  • Bradykinin B2 Receptor Antagonist
  • Bradykinin Receptor Antagonists

Molecular Formula

  • C34-H36-Cl2-N6-O5-S

Molecular Weight

  • 711.6674
 
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Names and Synonyms

Name of Substance

  • Anatibant [INN]
  • LF 16-0687

Synonyms

  • (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-{2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl}pyrrolidine-2-carboxamide
  • 1-((2,4-Dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy) methyl)phenyl)sulfonyl)-N-(3-((4-(aminoimethyl) phenyl) carbonylamino)propyl)-2(S)-pyrrolidinecarboxamide
  • Anatibant
  • LF16-0687
  • UNII-CLO4JRD21F

Systematic Name

  • (2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide

Registry Numbers

CAS Registry Number

  • 209733-45-9

FDA UNII

  • CLO4JRD21F

System Generated Number

  • 0209733459

Structure Descriptors

InChI

1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1

InChIKey

XUHBBTKJWIBQMY-MHZLTWQESA-N

Smiles

C1[C@H]([N@@](CC1)S(=O)(=O)c1c(c(c(cc1)Cl)COc1cccc2c(cc(nc12)C)C)Cl)C(=O)NCCCNC(c1ccc(cc1)C(N)=N)=O