U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

[H][C@@]12NC(=N)N[C@]13N(CCC3=O)C(=N)N[C@H]2COC(N)=O

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 Sat Dec 16 10:22:20 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:20 GMT 2023
Record UNII
6M22237W8C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAXITOXIN KETONE
Common 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
SAXITOXIN ANHYDROUS
Common Name English
Code System Code Type Description
FDA UNII
6M22237W8C
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY
PUBCHEM
135565070
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY
CAS
76034-85-0
Created by admin on Sat Dec 16 10:22:20 GMT 2023 , Edited by admin on Sat Dec 16 10:22:20 GMT 2023
PRIMARY