Chem
J-GLOBAL ID:200907000835890643   Nikkaji number:J2.652.308G

(+)-11,11-Dihydroxysaxitoxin

(+)-11,11-ジヒドロキシサキシトキシン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H17N7O6
Molecular formula furigana: C10-H17-N7-O6
Molecular weight: 331.289
InChI: InChI=1S/C10H17N7O6/c11-5-15-4-3(1-23-7(13)18)14-6(12)17-2-8(19,20)10(21,22)9(4,17)16-5/h3-4,19-22H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t3-,4-,9-/m0/s1
InChI key: AYQBNFCPVJEXBA-GWWBTZNMSA-N
SMILES: NC(=O)OC[C@@H]1N=C(N)N2CC(O)(O)C(O)(O)[C@]32NC(=N[C@@H]13)N
Systematic name  (4):
  • カルバミド酸[(3aS,10aS)-2,6-ジアミノ-9,9,10,10-テトラヒドロキシ-3aα,4,8,9-テトラヒドロ-1H,10H-ピロロ[1,2-c]プリン-4α-イル]メチル
  • (3aS,4R,10aS)-2,6-ビスイミノ-4-(カルバモイルオキシメチル)-2,3,3a,4,5,6,8,9-オクタヒドロ-1H,10H-ピロロ[1,2-c]プリン-9,9,10,10-テトラオール
  • [(3aS,4R,10aS)-2,6-ジアミノ-9,9,10,10-テトラヒドロキシ-1H,3aH,4H,8H,9H,10H-ピロロ[1,2-c]プリン-4-イル]メチル カルバマート
  • [(3aS,4R,10aS)-2,6-diamino-9,9,10,10-tetrahydroxy-1H,3aH,4H,8H,9H,10H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Other name (4):
  • Carbamic acid [(3aS,10aS)-2,6-diamino-9,9,10,10-tetrahydroxy-3aα,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-4α-yl]methyl ester
  • (3aS,4R,10aS)-2,6-Bisimino-4-(carbamoyloxymethyl)-2,3,3a,4,5,6,8,9-octahydro-1H,10H-pyrrolo[1,2-c]purine-9,9,10,10-tetraol
  • (+)-11,11-ジヒドロキシサキシトキシン
  • (+)-11,11-Dihydroxysaxitoxin
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