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Substance Name: (5'-Deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium
RN: 86550-55-2
InChIKey: GTJXAVJAJXKNDY-NTIQLPHSSA-N

Note

  • Inhibitor of indole methyltransferase.

Molecular Formula

  • C23-H29-N6-O3-S.C-H3-O4-S

Molecular Weight

  • 580.6838
 
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Names and Synonyms

Name of Substance

  • (5'-Deoxyadenosyl)(4-(3-indolyl)but-1-yl)methylsulfonium

Synonym

  • 5'-Daibms

Systematic Name

  • Adenosine, 5'-deoxy-5'-((4-(1H-indol-3-yl)butyl)methylsulfonio)-, methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 86550-55-2

System Generated Number

  • 0086550552

Molecular Formulas

Molecular Formula

  • C23-H29-N6-O3-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C23-H29-N6-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28N6O3S.CH4O4S/c1-33-16(9-5-2-6-13-10-25-15-8-4-3-7-14(13)15)20-18(30)19(31)23(32-20)29-12-28-17-21(24)26-11-27-22(17)29;1-5-6(2,3)4/h3-4,7-8,10-12,16,18-20,23,25,30-31H,2,5-6,9H2,1H3,(H2,24,26,27);1H3,(H,2,3,4)/t16?,18-,19+,20+,23+;/m0./s1

InChIKey

GTJXAVJAJXKNDY-NTIQLPHSSA-N

Smiles

COS(=O)(=O)[O-].C[SH+]C(CCCCc1c[nH]c2ccccc12)[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45