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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15N7O3
Molecular Weight 281.2712
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAXITOXIN KETONE

SMILES

NC(=O)OC[C@@H]1NC(=N)N2CCC(=O)[C@@]23NC(=N)N[C@@H]13

InChI

InChIKey=ASAVKLGAFKQPPL-DMXGEVFUSA-N
InChI=1S/C10H15N7O3/c11-7-15-6-4(3-20-9(13)19)14-8(12)17-2-1-5(18)10(6,17)16-7/h4,6H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t4-,6-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15N7O3
Molecular Weight 281.2712
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:12:43 GMT 2025
Edited
by admin
on Mon Mar 31 23:12:43 GMT 2025
Record UNII
6M22237W8C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAXITOXIN KETONE
Common Name English
SAXITOXIN ANHYDROUS
Preferred Name English
1H,10H-PYRROLO(1,2-C)PURIN-10-ONE, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-
Systematic Name English
Code System Code Type Description
FDA UNII
6M22237W8C
Created by admin on Mon Mar 31 23:12:43 GMT 2025 , Edited by admin on Mon Mar 31 23:12:43 GMT 2025
PRIMARY
PUBCHEM
135565070
Created by admin on Mon Mar 31 23:12:43 GMT 2025 , Edited by admin on Mon Mar 31 23:12:43 GMT 2025
PRIMARY
CAS
76034-85-0
Created by admin on Mon Mar 31 23:12:43 GMT 2025 , Edited by admin on Mon Mar 31 23:12:43 GMT 2025
PRIMARY