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Substance Name: Bentiamine lauryl sulfate
RN: 85187-36-6
UNII: 726S459UVE
InChIKey: OLTVHXMQBFXARO-XTMYEIJHSA-N

Molecular Formula

  • C26-H26-N4-O4-S.C12-H26-O4-S

Molecular Weight

  • 756.9808
 
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Names and Synonyms

Name of Substance

  • Bentiamine lauryl sulfate

Synonyms

  • EINECS 286-125-3
  • UNII-726S459UVE

Systematic Name

  • S-(2-(((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamido)-1-(2-(benzoyloxy)ethyl)prop-1-enyl) thiobenzoate, mono(dodecyl sulphate)

Registry Numbers

CAS Registry Number

  • 85187-36-6

FDA UNII

  • 726S459UVE

System Generated Number

  • 0085187366

Molecular Formulas

Molecular Formula

  • C26-H26-N4-O4-S.C12-H26-O4-S

Molecular Formula Fragments

  • C12-H26-O4-S
  • C26-H26-N4-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C26H26N4O4S.C12H26O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29);2-12H2,1H3,(H,13,14,15)/b23-18-;

InChIKey

OLTVHXMQBFXARO-XTMYEIJHSA-N

Smiles

CCCCCCCCCCCCOS(=O)(=O)O.Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOC(=O)c2ccccc2)\SC(=O)c3ccccc3)/C