Denatonium saccharide | CAS No. 61724-46-7

Denatonium saccharide

Basic Information

CAS Number

61724-46-7

Molecular Formula

C28H33N3O4S

Molecular Weight

507.64 g/mol

AD

Basic Physical Properties

S1(C2C=CC=CC=2C(=N1)[O-])(=O)=O.O=C(C[N+](CC)(CC)CC1C=CC=CC=1)NC1C(C)=CC=CC=1C

InChI

1S/C21H28N2O.C7H5NO3S/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h7-14H,5-6,15-16H2,1-4H3;1-4H,(H,8,9)

InChIKey

AOVWCKBXCSVODH-UHFFFAOYSA-N

Complexity

689

Synonyms & References

English

  • Neutral Violet Bl
  • Acid violet 68
  • Irgalan Violet RL
  • Neuter Violet BL
  • Denatonium saccharide
  • G2NT7SMW7M
  • Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
  • Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
  • DSSTox_CID_14361
  • DSSTox_RID_79147
  • DSSTox_GSID_34361
  • C28H33N3O4S
  • Tox21_302351
  • KM2943
  • Acid Violet 68

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