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Substance Name: 2-Allosecurinine, sulfate
ID: BA40300000
InChIKey: NRQQMHJVNOWSIW-CHZGQIEOSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C13-H15-N-O2.H2-O4-S

Molecular Weight

  • 315.3443
 
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Names and Synonyms

Synonyms

  • Allosecurinine sulfate
  • Phyllochrysine sulfate

Systematic Name

  • 2-Allosecurinine, sulfate

Registry Numbers

ID Number

  • NIOSH/BA4030000

System Generated Number

  • BA40300000

Molecular Formulas

Molecular Formula

  • C13-H15-N-O2.H2-O4-S

Molecular Formula Fragments

  • C13-H15-N-O2
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C13H15NO2.H2O4S/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11;1-5(2,3)4/h4-5,7,10-11H,1-3,6,8H2;(H2,1,2,3,4)/t10-,11+,13+;/m1./s1

InChIKey

NRQQMHJVNOWSIW-CHZGQIEOSA-N

Smiles

OS(=O)(=O)O.O=C1O[C@@]23C[C@@H](C=CC2=C1)N4CCCC[C@@H]34