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Substance Name: Tirilazad mesylate [USAN]
RN: 149042-61-5
InChIKey: NTRLSGIBUFLYST-VFTWSTDHSA-N

Note

  • A lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia.

Classification Code

  • Inhibitor (Lipid Peroxidation)

Molecular Formula

  • C38-H52-N6-O2.C-H4-O3-S.x-H2-O

Molecular Weight

  • 738.9892
 
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Names and Synonyms

Name of Substance

  • Tirilazad mesylate [USAN]

Synonyms

  • 21-(4-(2,6-Di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione monomethanesulfonate, hydrate
  • Pregna-1,4,9(11)-triene-3,20-dione, 21-(4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl)-16-methyl-, (16alpha)-, methanesulfonate, hydrate (1:1:?)
  • Tirilazad mesylate
  • Tirilazad mesylate hydrate

Registry Numbers

CAS Registry Number

  • 149042-61-5

System Generated Number

  • 0149042615

Molecular Formulas

Molecular Formula

  • C38-H52-N6-O2.C-H4-O3-S.x-H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C38-H52-N6-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C38H52N6O2.CH4O3S.H2O/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44;1-5(2,3)4;/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3;1H3,(H,2,3,4);1H2/t26-,29-,31+,35-,37+,38+;;/m1../s1

InChIKey

NTRLSGIBUFLYST-VFTWSTDHSA-N

Smiles

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(CC1)c1nc(nc(c1)N1CCCC1)N1CCCC1.CS(=O)(=O)O.O