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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16N6O3
Molecular Weight 256.2617
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DECARBAMOYLSAXITOXIN

SMILES

NC1=N[C@H]2[C@H](CO)N=C(N)N3CCC(O)(O)[C@]23N1

InChI

InChIKey=VRRIYZJUSNMZMP-PJPYAQQDSA-N
InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H16N6O3
Molecular Weight 256.2617
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 23:34:56 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:56 GMT 2025
Record UNII
EC89AU638S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DECARBAMOYLSTX
Preferred Name English
DECARBAMOYLSAXITOXIN
Common Name English
(3AS,4R,10AS)-2,6-DIAMINO-3A,4,8,9-TETRAHYDRO-4-(HYDROXYMETHYL)-1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL
Systematic Name English
DECARBAMYLSAXITOXIN
Common Name English
1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2,6-DIAMINO-3A,4,8,9-TETRAHYDRO-4-(HYDROXYMETHYL)-, (3AS-(3A.ALPHA.,4.ALPHA.,10AR*))-
Systematic Name English
1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2,6-DIAMINO-3A,4,8,9-TETRAHYDRO-4-(HYDROXYMETHYL)-, (3AS,4R,10AS)-
Systematic Name English
(+)-DECARBAMYLSAXITOXIN
Common Name English
Code System Code Type Description
CAS
58911-04-9
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY
WIKIPEDIA
Decarbamoylsaxitoxin
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY
PUBCHEM
21117969
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID70207660
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY
FDA UNII
EC89AU638S
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY
CHEBI
133919
Created by admin on Mon Mar 31 23:34:56 GMT 2025 , Edited by admin on Mon Mar 31 23:34:56 GMT 2025
PRIMARY