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Substance Name: MDL 73404
RN: 130573-32-9
InChIKey: OCKUZZXXLQTSON-UHFFFAOYSA-N

Note

  • A hydrophilic cardioselective free radical scavenger; analog of alpha-tocopherol.

Molecular Formula

  • C18-H30-N-O2.C7-H7-O3-S

Molecular Weight

  • 463.635
 
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Names and Synonyms

Name of Substance

  • MDL 73404

Synonyms

  • 3,4-Dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethanaminium 4-methylbenzenesulfonate
  • DHHBE
  • Mdl 74,405
  • Mdl-73404

Systematic Name

  • 2H-1-Benzopyran-2-ethanaminium, 3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 130573-32-9

System Generated Number

  • 0130573329

Molecular Formulas

Molecular Formula

  • C18-H30-N-O2.C7-H7-O3-S

Molecular Formula Fragments

  • C18-H30-N-O2
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO2.C7H8O3S/c1-12-13(2)17-15(14(3)16(12)20)8-9-18(4,21-17)10-11-19(5,6)7;1-6-2-4-7(5-3-6)11(8,9)10/h8-11H2,1-7H3;2-5H,1H3,(H,8,9,10)

InChIKey

OCKUZZXXLQTSON-UHFFFAOYSA-N

Smiles

C1[C@@](CC[N+](C)(C)C)(C)Oc2c(C)c(C)c(O)c(c2C1)C.c1(ccc(cc1)C)S(=O)(=O)[O-]