Neoglucobrassicin

CAS Registry Number®

5187-84-8
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CAS Name

Neoglucobrassicin

Molecular Formula

C17H22N2O10S2

Molecular Mass

478.49

Cite this Page

Neoglucobrassicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5187-84-8 (retrieved 2024-05-21) (CAS RN: 5187-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/t12-,14-,15+,16-,17+/m1/s1

InChIKey

InChIKey=PKKMITFKYRCCOL-CMZRPVNOSA-N

SMILES

C(C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(=O)(=O)O)C=2C=3C(N(OC)C2)=CC=CC3

Canonical SMILES

O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CC2=CN(OC)C=3C=CC=CC32

Other Names for this Substance

  • β-D-Glucopyranose, 1-thio-, 1-[1-methoxy-N-(sulfooxy)-1H-indole-3-ethanimidate]
  • Glucopyranose, 1-thio-, 1-(1-methoxyindole-3-acetohydroximate) NO-(hydrogen sulfate), β-D-
  • Glucopyranose, 1-thio-, 1-(1-methoxyindole-3-acetate), oxime, hydrogen sulfate, β-D-
  • Neoglucobrassicin
  • Neoglucobrassicine

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Deleted or Replaced CAS Registry Numbers

114816-34-1, 139077-71-7, 26850-09-9, 31017-14-8, 334832-09-6, 863507-78-2

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