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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17N7O4.2ClH
Molecular Weight 372.208
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAXITOXIN DIHYDROCHLORIDE

SMILES

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

InChI

InChIKey=YHAHUGQQOBPXOZ-UIPPETONSA-N
InChI=1S/C10H17N7O4.2ClH/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6;;/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16);2*1H/t4-,5-,10-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SAXITOXIN DIHYDROCHLORIDE
HSDB   MI  
Common Name English
SAXITOXIN DIHYDROCHLORIDE [MI]
Common Name English
1H,10H-PYRROLO(1,2-C)PURINE-10,10-DIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, HYDROCHLORIDE (1:2), (3AS,4R,10AS)-
Systematic Name English
SAXITOXIN DIHYDROCHLORIDE [HSDB]
Common Name English
Code System Code Type Description
PUBCHEM
132988485
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY
CAS
35554-08-6
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY
MERCK INDEX
m9796
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY Merck Index
HSDB
3557
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY
FDA UNII
VKS19V6FQN
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID60189042
Created by admin on Sat Dec 16 08:02:57 UTC 2023 , Edited by admin on Sat Dec 16 08:02:57 UTC 2023
PRIMARY