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Substance Name: N-(alpha-Carboxy-2-nitrobenzyl)carbamoylcholine
RN: 117121-25-2
InChIKey: XCUMCKKHVKICEN-UHFFFAOYSA-O

Note

  • Biologically inert protolabile precursor of carbamoylcholine; photolyzes to to carbamoylcholine; also called caged carbamoylcholine.

Molecular Formula

  • C14-H20-N3-O6.C2-F3-O2

Molecular Weight

  • 440.3489
 
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Names and Synonyms

Name of Substance

  • N-(alpha-Carboxy-2-nitrobenzyl)carbamoylcholine

Synonym

  • NCNCC

Systematic Name

  • Ethanaminium, 2-((((carboxy(2-nitrophenyl)methyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, salt with trifluoroacetic acid (1:1)

Registry Numbers

CAS Registry Number

  • 117121-25-2

System Generated Number

  • 0117121252

Molecular Formulas

Molecular Formula

  • C14-H20-N3-O6.C2-F3-O2

Molecular Formula Fragments

  • C14-H20-N3-O6
  • C2-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19N3O6.C2HF3O2/c1-17(2,3)8-9-23-14(20)15-12(13(18)19)10-6-4-5-7-11(10)16(21)22;3-2(4,5)1(6)7/h4-7,12H,8-9H2,1-3H3,(H-,15,18,19,20);(H,6,7)/p+1

InChIKey

XCUMCKKHVKICEN-UHFFFAOYSA-O

Smiles

C[N+](C)(C)CCOC(=O)NC(c1ccccc1[N+](=O)[O-])C(=O)O.C(=O)(C(F)(F)F)O