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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H16N8O3
Molecular Weight 296.2858
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SAXITOXIN OXIME

SMILES

[H][C@@]12NC(=N)N[C@]13N(CCC3=NO)C(=N)N[C@H]2COC(N)=O

InChI

InChIKey=QSXCXIGMMGMVJV-DMXGEVFUSA-N
InChI=1S/C10H16N8O3/c11-7-15-6-4(3-21-9(13)19)14-8(12)18-2-1-5(17-20)10(6,18)16-7/h4,6,20H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t4-,6-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H16N8O3
Molecular Weight 296.2858
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
XE7MM8NO9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAXITOXIN OXIME
Common Name English
1H,10H-PYRROLO(1,2-C)PURIN-10-ONE, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, OXIME, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-
Systematic Name English
Code System Code Type Description
CAS
108044-99-1
Created by admin on Sat Dec 16 14:13:18 UTC 2023 , Edited by admin on Sat Dec 16 14:13:18 UTC 2023
PRIMARY
PUBCHEM
135564673
Created by admin on Sat Dec 16 14:13:18 UTC 2023 , Edited by admin on Sat Dec 16 14:13:18 UTC 2023
PRIMARY
FDA UNII
XE7MM8NO9I
Created by admin on Sat Dec 16 14:13:18 UTC 2023 , Edited by admin on Sat Dec 16 14:13:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE