Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)

CAS Registry Number®

138489-18-6
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CAS Name

Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)

Molecular Formula

C25H23N5O2S.CH4O3S

Cite this Page

Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=138489-18-6 (retrieved 2024-04-29) (CAS RN: 138489-18-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2,3,4)

InChIKey

InChIKey=SAWVGDJBSPLRRB-UHFFFAOYSA-N

SMILES

O=C1C(C=2C=3C(N(CCCSC(=N)N)C2)=CC=CC3)=C(C(=O)N1)C=4C=5C(N(C)C4)=CC=CC5.S(C)(=O)(=O)O

Canonical SMILES

O=C1NC(=O)C(C2=CN(C=3C=CC=CC23)CCCSC(=N)N)=C1C4=CN(C=5C=CC=CC45)C.O=S(=O)(O)C

Other Names for this Substance

  • Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, methanesulfonate (1:1)
  • Carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl]-1H-indol-1-yl]propyl ester, monomethanesulfonate
  • Ro 31-8220 methanesulfonate
  • Ro 31-8220 mesylate
  • Methanesulfonic acid 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

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