DEHYDROGLIOTOXIN

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 Search

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 `Mon Mar 31 21:51:16 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:16 GMT 2025`
Record UNII	EDL6219B5A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEHYDROGLIOTOXIN

Common Name

English

J92.751A

Preferred 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

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 Mon Mar 31 21:51:16 GMT 2025 , Edited by admin on Mon Mar 31 21:51:16 GMT 2025

PRIMARY

PUBCHEM

13989137

Created by admin on Mon Mar 31 21:51:16 GMT 2025 , Edited by admin on Mon Mar 31 21:51:16 GMT 2025

PRIMARY

CAS

1668-07-1

Created by admin on Mon Mar 31 21:51:16 GMT 2025 , Edited by admin on Mon Mar 31 21:51:16 GMT 2025

PRIMARY

EPA CompTox

DTXSID00937241

Created by admin on Mon Mar 31 21:51:16 GMT 2025 , Edited by admin on Mon Mar 31 21:51:16 GMT 2025

PRIMARY

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