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57256-34-5,MFCD01444642
Catalog No.:AA00ELSU

57256-34-5 | 1-carboxysalsolinol

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  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ELSU
Chemical Name:
1-carboxysalsolinol
CAS Number:
57256-34-5
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD01444642
SMILES:
OC(=O)C1(C)NCCc2c1cc(O)c(c2)O
NSC Number:
358258
Properties
Computed Properties
 
Complexity:
296  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.7  

Literature

Title: Molecular mechanisms controlling the rate and specificity of catechol O-methylation by human soluble catechol O-methyltransferase.

Journal: Molecular pharmacology 20010201

Title: B Sjöquist,et al. Identification and quantification of 1-carboxysalsolinol and salsolinol in biological samples by gas chromatography--mass spectrometry. J Chromatogr. 1985 Sep 13;343(1):1-8.

Title: M A Collins, et al. Oxidative decarboxylation of salsolinol-1-carboxylic acid to 1,2-dehydrosalsolinol: evidence for exclusive catalysis by particulate factors in rat kidney. Arch Biochem Biophys. 1988 May 15;263(1):86-95.

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Tags:57256-34-5 Molecular Formula|57256-34-5 MDL|57256-34-5 SMILES|57256-34-5 1-carboxysalsolinol