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Substance Name: Icatibant [INN:BAN]
RN: 130308-48-4
UNII: 7PG89G35Q7
InChIKey: QURWXBZNHXJZBE-SKXRKSCCSA-N

Note

  • A potent bradykinin (B2) receptor antagonist; WIN 65365 is an L-Tic(7) stereoisomer.

Molecular Formula

  • C59-H89-N19-O13-S

Molecular Weight

  • 1304.5381
 

Classification Codes

  • Adrenergic Agents
  • Adrenergic Antagonists
  • Adrenergic beta-Antagonists
  • Analgesics
  • Analgesics, Non-Narcotic
  • Antagonist (Bradykinin)
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Bradykinin Antagonists
  • Bradykinin B2 Receptor Antagonists
  • Bradykinin Receptor Antagonists
  • Complement Inactivating Agents
  • Immunologic Factors
  • Immunosuppressive Agents
  • Neurotransmitter Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Icatibant
  • Icatibant [INN:BAN]

Synonyms

  • Firazyr
  • HOE 140
  • HOE-140
  • HOE140
  • Hoechst 140
  • Icatibant
  • JE 049
  • UNII-7PG89G35Q7

Systematic Names

  • Icatibant
  • L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-

Registry Numbers

CAS Registry Number

  • 130308-48-4

FDA UNII

  • 7PG89G35Q7

Related Registry Number

  • 138614-30-9 (acetate)

System Generated Number

  • 0130308484

Structure Descriptors

InChI

InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1

InChIKey

QURWXBZNHXJZBE-SKXRKSCCSA-N

Smiles

N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3cccs3)C(=O)N[C@@H](CO)C(=O)N4Cc5ccccc5C[C@@H]4C(=O)N6[C@H]7CCCC[C@H]7C[C@H]6C(=O)N[C@@H](CCCNC(=N)N)C(=O)O