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Substance Name: (5'-Deoxyadenosyl)(3-(3-indolyl)prop-1-yl)methylsulfonium
RN: 86550-66-5
InChIKey: ASNHKLKVZVPKID-DZIAQIMVSA-N

Note

  • Inhibitor of indole methyltransferase.

Molecular Formula

  • C22-H27-N6-O3-S.C-H3-O4-S

Molecular Weight

  • 566.657
 
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Names and Synonyms

Name of Substance

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

Synonym

  • 5-Daipms

Systematic Name

  • Adenosin, 5'-deoxy-5'-((3-(1H-indol-3-yl)propyl)methylsulfonio)-, methyl sulfate (salt)

Registry Numbers

CAS Registry Number

  • 86550-66-5

System Generated Number

  • 0086550665

Molecular Formulas

Molecular Formula

  • C22-H27-N6-O3-S.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C22-H27-N6-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N6O3S.CH4O4S/c1-32-15(8-4-5-12-9-24-14-7-3-2-6-13(12)14)19-17(29)18(30)22(31-19)28-11-27-16-20(23)25-10-26-21(16)28;1-5-6(2,3)4/h2-3,6-7,9-11,15,17-19,22,24,29-30H,4-5,8H2,1H3,(H2,23,25,26);1H3,(H,2,3,4)/t15?,17-,18+,19+,22+;/m0./s1

InChIKey

ASNHKLKVZVPKID-DZIAQIMVSA-N

Smiles

COS(=O)(=O)[O-].C[SH+]C(CCCc1c[nH]c2ccccc12)[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45