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Substance Name: 2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate
RN: 111030-96-7
UNII: AKH18GGW2E
InChIKey: UBRONROYHPKBIP-PBAYCENZSA-M

Molecular Formula

  • C51-H99-N2-O6.C-H3-O4-S

Molecular Weight

  • 947.4478
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate

Synonyms

  • 1-Propanaminium, 2-hydroxy-N-(2-((2-hydroxypropyl)(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)amino)ethyl)-N-methyl-N-(2-((1-oxo-9-octadecen-1-yl)oxy)propyl)-, methyl sulfate (1:1)
  • 2-Hydroxy-N-(2-((2-hydroxypropyl)(2-(oleoyloxy)propyl)amino)ethyl)-N-methyl-N-(2-(oleoyloxy)propyl)propan-1-aminium methyl sulfate
  • UNII-AKH18GGW2E

Registry Numbers

CAS Registry Number

  • 111030-96-7

FDA UNII

  • AKH18GGW2E

System Generated Number

  • 0111030967

Structure Descriptors

InChI

1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h22-25,46-49,54-55H,8-21,26-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b24-22-,25-23-;

InChIKey

UBRONROYHPKBIP-PBAYCENZSA-M

Smiles

CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCC/C=C\CCCCCCCC)CC(C)O.COS(=O)(=O)[O-]