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Substance Name: 3-((2-Ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-1-propanaminium
RN: 108797-85-9
UNII: 461179NDF7
InChIKey: FAWBMRXIDCEGBG-UHFFFAOYSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C16-H35-N-O6-S

Molecular Weight

  • 369.52
 
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Names and Synonyms

Name of Substance

  • 3-((2-Ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-1-propanaminium

Synonym

  • UNII-461179NDF7

Systematic Names

  • 1-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, hydroxide, inner salt
  • 1-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt

Superlist Name

  • 1-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt

Registry Numbers

CAS Registry Number

  • 108797-85-9

FDA UNII

  • 461179NDF7

System Generated Number

  • 0108797859

Structure Descriptors

InChI

1S/C16H35NO6S/c1-5-7-8-14(6-2)11-23-12-15(18)9-17(3,4)10-16(19)13-24(20,21)22/h14-16,18-19H,5-13H2,1-4H3

InChIKey

FAWBMRXIDCEGBG-UHFFFAOYSA-N

Smiles

S(C[C@@H](C[N+](C[C@@H](O)COC[C@@H](CC)CCCC)(C)C)O)(=O)(=O)[O-]