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Substance Name: Semapimod [INN]
RN: 352513-83-8
UNII: 9SGW2H1K8P
InChIKey: PWDYHMBTPGXCSN-VCBMUGGBSA-N

Note

  • Macrophage-deactivating agent used to treat experimental autoimmune encephalomyelitis in mice; a tetravalent guanylhydrazone.

Molecular Formula

  • C34-H52-N18-O2

Molecular Weight

  • 744.9088
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antirheumatic Agents
  • Immunologic Factors
  • Immunosuppressive Agents
  • Peripheral Nervous System Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Semapimod
  • Semapimod [INN]

Synonyms

  • CNI-1493
  • N,N'-Bis{3,5-bis(1-(carbamimidoylhydrazono)ethyl)phenyl}decanediamide
  • Semapimod
  • UNII-9SGW2H1K8P

Registry Numbers

CAS Registry Number

  • 352513-83-8

FDA UNII

  • 9SGW2H1K8P

System Generated Number

  • 0352513838

Structure Descriptors

InChI

InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+

InChIKey

PWDYHMBTPGXCSN-VCBMUGGBSA-N

Smiles

C\C(=N/NC(=N)N)\c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(cc(c2)\C(=N\NC(=N)N)\C)\C(=N\NC(=N)N)\C)cc(c1)\C(=N\NC(=N)N)\C