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Substance Name: Desmethyl tirilazad
RN: 111668-89-4
InChIKey: QZGBZPCDCMUFCW-FRVIMOPGSA-N

Note

  • A 21-aminosteroid antioxidant (lazaroids); inhibitor of iron-dependent lipid peroxidation.

Molecular Formula

  • C37-H50-N6-O2.C-H4-O3-S

Molecular Weight

  • 706.948
 

Classification Codes

  • Antioxidants
  • Central Nervous System Agents
  • Immunologic Factors
  • Immunosuppressive Agents
  • Neuroprotective Agents
  • Protective Agents
  • Radiation-Protective Agents
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Names and Synonyms

Results Name

  • Desmethyl tirilazad

Name of Substance

  • U 74389F

Synonyms

  • 16-Desmethyltirilazid
  • 21-(4-(2,6-di-1-Pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-pregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate
  • Desmethyl tirilazad
  • Trilazad mesylate
  • U 74389
  • U 74389G
  • U-74389
  • U-74389F
  • U-74389G
  • U74389F

Systematic Name

  • Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 111668-89-4

System Generated Number

  • 0111668894

Molecular Formulas

Molecular Formula

  • C37-H50-N6-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C37-H50-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C37H50N6O2.CH4O3S/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43;1-5(2,3)4/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3;1H3,(H,2,3,4)/t28-,29-,31+,36-,37-;/m0./s1

InChIKey

QZGBZPCDCMUFCW-FRVIMOPGSA-N

Smiles

C1CN(CC1)c1nc(cc(N2CCCC2)n1)N1CCN(CC([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5(C)C4=CC[C@@]23C)=O)CC1.OS(C)(=O)=O