Gabaculine

CAS Registry Number®

59556-29-5

CAS Name

Gabaculine

Molecular Formula

C7H9NO2

Molecular Mass

139.15

Cite this Page

Gabaculine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59556-29-5 (retrieved 2024-11-22) (CAS RN: 59556-29-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1

InChIKey

InChIKey=KFNRJXCQEJIBER-ZCFIWIBFSA-N

SMILES

C(O)(=O)C=1C[C@H](N)C=CC1

Canonical SMILES

O=C(O)C1=CC=CC(N)C1

Other Names for this Substance

  • 1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, (5S)-
  • 1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, (S)-
  • (5S)-5-Amino-1,3-cyclohexadiene-1-carboxylic acid
  • Gabaculine
  • (S)-5-Aminocyclohexa-1,3-dienecarboxylic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration