5NS

5-aminonaphthalene-1-sulfonic acid

Created: 2008-03-13
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count11
2D diagram of 5NS
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Chemical Component Summary

Name5-aminonaphthalene-1-sulfonic acid
Systematic Name (OpenEye OEToolkits)5-aminonaphthalene-1-sulfonic acid
FormulaC10 H9 N O3 S
Molecular Weight223.248
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=S(=O)(O)c1cccc2c1cccc2N
SMILESCACTVS3.341Nc1cccc2c1cccc2[S](O)(=O)=O
SMILESOpenEye OEToolkits1.5.0c1cc2c(cccc2S(=O)(=O)O)c(c1)N
Canonical SMILESCACTVS3.341 Nc1cccc2c1cccc2[S](O)(=O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc2c(cccc2S(=O)(=O)O)c(c1)N
InChIInChI1.03 InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKeyInChI1.03 DQNAQOYOSRJXFZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07176 
Name1-Naphthylamine-5-sulfonic acid
Groups experimental
Synonyms
  • Laurent acid
  • 5-Naphthylamine-1-sulfonic acid
  • 1-Amino-5-sulfonaphthalene
  • 1-Amino-5-naphthalenesufonic acid
  • 1-Naphthylamine-5-sulfonic acid
Categories
  • Arylsulfonates
  • Arylsulfonic Acids
  • Naphthalenes
  • Sulfonic Acids
  • Sulfur Acids
CAS number84-89-9

Drug Targets

NameTarget SequencePharmacological ActionActions
TransthyretinMASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6793
ChEMBL CHEMBL589370
CCDC/CSD JIRRAE, JIRQUX, ZZZLGC01