Tirilazad mesylate

CAS Registry Number®

110101-67-2

CAS Name

Tirilazad mesylate

Molecular Formula

C38H52N6O2.CH4O3S

Cite this Page

Tirilazad mesylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110101-67-2 (retrieved 2024-11-22) (CAS RN: 110101-67-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H52N6O2.CH4O3S/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)/t26-,29-,31+,35-,37+,38+;/m1./s1

InChIKey

InChIKey=HPZOOQSXPMEJBV-ODCFVKFUSA-N

SMILES

C[C@@]12[C@]([C@]3(C([C@]4(C)C(CC3)=CC(=O)C=C4)=CC1)[H])(C[C@@H](C)[C@@H]2C(CN5CCN(CC5)C=6C=C(N=C(N6)N7CCCC7)N8CCCC8)=O)[H].S(C)(=O)(=O)O

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C(C(=O)CN5CCN(C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)CC5)C(C)CC34)C.O=S(=O)(O)C

Other Names for this Substance

  • Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (16α), methanesulfonate (1:1)
  • Pregna-1,4,9(11)-triene-3,20-dione, 21-[4-(2,6-di-1-pyrrolidinyl-4-pyrimidinyl)-1-piperazinyl]-16-methyl-, (16α)-, monomethanesulfonate
  • U 74006F
  • Tirilazad mesylate
  • Freedox