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Concept information

Preferred term

سولفات  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • 2C14H18N6O.H2O4S

has_functional_parent

inchi

  • InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1

inchikey

  • WMHSRBZIJNQHKT-FFKFEZPRSA-N

mass

  • 670.74460

monoisotopicmass

  • 670.27580

smiles

  • OS(O)(=O)=O.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1

subset

  • 3_STAR

synonym EXACT

  • Abacavir sulfate
  • bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2361

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