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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

[H][C@@]12NC(=N)N[C@]13N(CC\C3=N/OCC(O)=O)C(=N)N[C@H]2COC(N)=O

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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:13:18 UTC 2023
Edited
by admin
on Sat Dec 16 14:13:18 UTC 2023
Record UNII
Y64BP5X8XF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAXITOXIN (CARBOXYMETHYL)OXIME
Common Name English
ACETIC ACID, (((2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-1H,10H-PYRROLO(1,2-C)PURIN-10-YLIDENE)AMINO)OXY)-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-
Systematic Name English
Code System Code Type Description
CAS
108045-01-8
Created by admin on Sat Dec 16 14:13:19 UTC 2023 , Edited by admin on Sat Dec 16 14:13:19 UTC 2023
PRIMARY
PUBCHEM
135564539
Created by admin on Sat Dec 16 14:13:19 UTC 2023 , Edited by admin on Sat Dec 16 14:13:19 UTC 2023
PRIMARY
FDA UNII
Y64BP5X8XF
Created by admin on Sat Dec 16 14:13:19 UTC 2023 , Edited by admin on Sat Dec 16 14:13:19 UTC 2023
PRIMARY
Related Record Type Details
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