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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16N2O5S2
Molecular Weight 368.428
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLIOTOXIN MONOACETATE

SMILES

CN1C(=O)[C@]23CC4=CC=C[C@H](OC(C)=O)[C@H]4N2C(=O)[C@@]1(CO)SS3

InChI

InChIKey=ANMNRGVATKMYOR-UOVKNHIHSA-N
InChI=1S/C15H16N2O5S2/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,24-23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H16N2O5S2
Molecular Weight 368.428
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:53:28 GMT 2025
Edited
by admin
on Mon Mar 31 21:53:28 GMT 2025
Record UNII
KFM1BL86EA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLIOTOXIN MONOACETATE
MI  
Common Name English
ACETYLGLIOTOXIN
Preferred Name English
GLIOTOXIN ACETATE
Common Name English
GLIOTOXIN MONOACETATE [MI]
Common Name English
10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 6-(ACETYLOXY)-2,3,5A,6-TETRAHYDRO-3-(HYDROXYMETHYL)-2-METHYL-, (3R-(3.ALPHA.,5A.BETA.,6.BETA.,10A.ALPHA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
86278268
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
PRIMARY
FDA UNII
KFM1BL86EA
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
PRIMARY
CAS
29762-25-2
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
ALTERNATIVE
EPA CompTox
DTXSID30952189
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
PRIMARY
MERCK INDEX
m5746
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
PRIMARY Merck Index
CAS
146016-64-0
Created by admin on Mon Mar 31 21:53:28 GMT 2025 , Edited by admin on Mon Mar 31 21:53:28 GMT 2025
PRIMARY