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Details

Stereochemistry ACHIRAL
Molecular Formula C32H28F6N6O2S2
Molecular Weight 706.7275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 2

SHOW SMILES / InChI
Structure of AG-1812 FREE BASE

SMILES

Cc1c(CSSCc2c(C)c(=[O+]CC(F)(F)F)ccn2-c3[nH]c4ccccc4n3)n(ccc1=[O+]CC(F)(F)F)-c5[nH]c6ccccc6n5

InChI

InChIKey=ZEBVOHRNJZPTDI-UHFFFAOYSA-N
InChI=1S/C32H28F6N6O2S2/c1-19-25(43(13-11-27(19)45-17-31(33,34)35)29-39-21-7-3-4-8-22(21)40-29)15-47-48-16-26-20(2)28(46-18-32(36,37)38)12-14-44(26)30-41-23-9-5-6-10-24(23)42-30/h3-14H,15-18H2,1-2H3,(H,39,40)(H,41,42)/q+2

HIDE SMILES / InChI

Molecular Formula C32H28F6N6O2S2
Molecular Weight 706.7275
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:55:59 UTC 2021
Edited
by admin
on Fri Jun 25 22:55:59 UTC 2021
Record UNII
6RI44GB0V9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AG-1812 FREE BASE
Common Name English
PYRIDINIUM, 2,2'-(DITHIOBIS(METHYLENE))BIS(1-(1H-BENZIMIDAZOL-2-YL)-3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-
Common Name English
LANSOPRAZOLE DISULFIDE ACTIVE METABOLITE
Common Name English
Code System Code Type Description
FDA UNII
6RI44GB0V9
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
CAS
700341-80-6
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
PUBCHEM
3082695
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
EPA CompTox
700341-80-6
Created by admin on Fri Jun 25 22:55:59 UTC 2021 , Edited by admin on Fri Jun 25 22:55:59 UTC 2021
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY