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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N2OS
Molecular Weight 314.445
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LU-AA39835

SMILES

CC1=CC(C)=C(SC2=CC(O)=CC=C2N3CCNCC3)C=C1

InChI

InChIKey=GZGSAICCNTYGOF-UHFFFAOYSA-N
InChI=1S/C18H22N2OS/c1-13-3-6-17(14(2)11-13)22-18-12-15(21)4-5-16(18)20-9-7-19-8-10-20/h3-6,11-12,19,21H,7-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H22N2OS
Molecular Weight 314.445
Charge 0
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 Sat Dec 16 10:12:37 UTC 2023
Edited
by admin
on Sat Dec 16 10:12:37 UTC 2023
Record UNII
C459W0B337
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LU-AA39835
Common Name English
LU AA39835
Code English
VORTIOXETINE METABOLITE M8
Common Name English
PHENOL, 3-((2,4-DIMETHYLPHENYL)THIO)-4-(1-PIPERAZINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
C459W0B337
Created by admin on Sat Dec 16 10:12:37 UTC 2023 , Edited by admin on Sat Dec 16 10:12:37 UTC 2023
PRIMARY
CAS
1429751-00-7
Created by admin on Sat Dec 16 10:12:37 UTC 2023 , Edited by admin on Sat Dec 16 10:12:37 UTC 2023
PRIMARY
PUBCHEM
91936922
Created by admin on Sat Dec 16 10:12:37 UTC 2023 , Edited by admin on Sat Dec 16 10:12:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Minor Enzyme for this transformation
MINOR
PLASMA