Decarbamoylgonyautoxin 3

CAS Registry Number®

87038-53-7

CAS Name

Decarbamoylgonyautoxin 3

Molecular Formula

C9H16N6O7S

Molecular Mass

352.32

Cite this Page

Decarbamoylgonyautoxin 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87038-53-7 (retrieved 2024-11-25) (CAS RN: 87038-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4-,5-,8-/m0/s1

InChIKey

InChIKey=AJLCXXKDNUGKKH-RGDLXGNYSA-N

SMILES

OC1(O)[C@]23[C@]([C@H](CO)N=C(N)N2C[C@@H]1OS(=O)(=O)O)(N=C(N)N3)[H]

Canonical SMILES

O=S(=O)(O)OC1CN2C(=NC(CO)C3N=C(N)NC23C1(O)O)N

Other Names for this Substance

  • 1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, 9-(hydrogen sulfate), (3aS,4R,9S,10aS)-
  • 1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 2,6-diamino-3a,4,8,9-tetrahydro-4-(hydroxymethyl)-, 9-(hydrogen sulfate), [3aS-(3aα,4α,9α,10aR*)]-
  • Decarbamoylgonyautoxin 3
  • dcGTX3
  • DcGonyautoxin 3

CAS INSIGHTSTM
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