Tiglylcarnitine

CAS Registry Number®

64681-36-3
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CAS Name

Tiglylcarnitine

Molecular Formula

C12H21NO4

Cite this Page

Tiglylcarnitine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64681-36-3 (retrieved 2024-08-20) (CAS RN: 64681-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+/t10-/m1/s1

InChIKey

InChIKey=WURBQCVBQNMUQT-OLKPEBQYSA-N

SMILES

[C@H](OC(/C(=C/C)/C)=O)(C[N+](C)(C)C)CC([O-])=O

Canonical SMILES

O=C(OC(CC(=O)[O-])C[N+](C)(C)C)C(=CC)C

Other Names for this Substance

  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, inner salt, (2R)-
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-butenyl)oxy]-, inner salt, [R-(E)]-
  • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-, inner salt, (2R)-
  • Tiglylcarnitine

Deleted or Replaced CAS Registry Numbers

64191-86-2