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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12N2O4S2
Molecular Weight 324.375
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROGLIOTOXIN

SMILES

CN1C(=O)[C@]23CC4=C(N2C(=O)[C@@]1(CO)SS3)C(O)=CC=C4

InChI

InChIKey=BNNLUYCZQNYABS-CHWSQXEVSA-N
InChI=1S/C13H12N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,16-17H,5-6H2,1H3/t12-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H12N2O4S2
Molecular Weight 324.375
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 13:28:55 UTC 2023
Edited
by admin
on Thu Jul 06 13:28:55 UTC 2023
Record UNII
EDL6219B5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEHYDROGLIOTOXIN
Common Name English
(1R)-7-HYDROXY-11-(HYDROXYMETHYL)-15-METHYL-12,13-DITHIA-9,15-DIAZATETRACYCLO(9.2.2.0(SUP 1,9).0(SUP 3,8))PENTADECA-3,5,7-TRIENE-10,14-DIONE
Systematic Name English
ANHYDROGLIOTOXIN
Common Name English
10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 2,3-DIHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-2-METHYL-, (3R)-
Systematic Name English
(3R)-1,2,3,4-TETRAHYDRO-6-HYDROXY-3-HYDROXYMETHYL-2-METHYL-10H-3.ALPHA.,10A.ALPHA.-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE
Systematic Name English
(3R)-2,3-DIHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-2-METHYL-10H-3.ALPHA.,10A.ALPHA.-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE
Systematic Name English
J92.751A
Code English
10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 2,3-DIHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-2-METHYL-, (3R,10AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
EDL6219B5A
Created by admin on Thu Jul 06 13:28:55 UTC 2023 , Edited by admin on Thu Jul 06 13:28:55 UTC 2023
PRIMARY
PUBCHEM
13989137
Created by admin on Thu Jul 06 13:28:55 UTC 2023 , Edited by admin on Thu Jul 06 13:28:55 UTC 2023
PRIMARY
CAS
1668-07-1
Created by admin on Thu Jul 06 13:28:55 UTC 2023 , Edited by admin on Thu Jul 06 13:28:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID00937241
Created by admin on Thu Jul 06 13:28:55 UTC 2023 , Edited by admin on Thu Jul 06 13:28:55 UTC 2023
PRIMARY
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