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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H18N8O5
Molecular Weight 354.3219
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SAXITOXIN (CARBOXYMETHYL)OXIME

SMILES

NC(=O)OC[C@@H]1NC(=N)N2CC\C(=N/OCC(O)=O)[C@@]23NC(=N)N[C@@H]13

InChI

InChIKey=XNQWVSVTMCJSKR-QXNSDESSSA-N
InChI=1S/C12H18N8O5/c13-9-17-8-5(3-24-11(15)23)16-10(14)20-2-1-6(12(8,20)18-9)19-25-4-7(21)22/h5,8H,1-4H2,(H2,14,16)(H2,15,23)(H,21,22)(H3,13,17,18)/b19-6+/t5-,8-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H18N8O5
Molecular Weight 354.3219
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Y64BP5X8XF
Record Status Validated (UNII)
Record Version