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Substance Name: Decarbamoylgonyautoxin 4
RN: 122169-51-1
InChIKey: AXKNFGCPJPRVCA-RGDLXGNYSA-N

Molecular Formula

  • C9-H16-N6-O8-S

Molecular Weight

  • 368.3254
 
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Names and Synonyms

Results Name

  • Decarbamoylgonyautoxin 4

Synonym

  • Decarbamoylgonyautoxin 4

Systematic Name

  • 1H,10H-Pyrrolo(1,2-c)purine-9,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9S,10aS)-

Registry Numbers

CAS Registry Number

  • 122169-51-1

System Generated Number

  • 0122169511

Structure Descriptors

InChI

1S/C9H16N6O8S/c10-6-12-5-3(2-16)15(19)7(11)14-1-4(23-24(20,21)22)9(17,18)8(5,14)13-6/h3-5,11,16-19H,1-2H2,(H3,10,12,13)(H,20,21,22)/t3-,4-,5-,8-/m0/s1

InChIKey

AXKNFGCPJPRVCA-RGDLXGNYSA-N

Smiles

NC1=N[C@H]2[C@H](CO)N(O)C(=N)N3C[C@H](OS(=O)(=O)O)C(O)(O)[C@]23N1