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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24FN3O2
Molecular Weight 381.4433
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ITI-333

SMILES

FC1=CC=C(OCCCN2CC[C@H]3[C@@H](C2)C4=C5N3CC(=O)NC5=CC=C4)C=C1

InChI

InChIKey=MXIJXDUPULMKIE-ICSRJNTNSA-N
InChI=1S/C22H24FN3O2/c23-15-5-7-16(8-6-15)28-12-2-10-25-11-9-20-18(13-25)17-3-1-4-19-22(17)26(20)14-21(27)24-19/h1,3-8,18,20H,2,9-14H2,(H,24,27)/t18-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24FN3O2
Molecular Weight 381.4433
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 Wed Apr 02 07:53:55 GMT 2025
Edited
by admin
on Wed Apr 02 07:53:55 GMT 2025
Record UNII
KHR1GLK9D0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ITI-333
Code English
ITI 333
Preferred Name English
(6bR,10aS)-8-[3-(4-Fluorophenoxy)propyl]-6b,7,8,9,10,10a-hexahydro-1H-pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one
Systematic Name English
1H-Pyrido[3?,4?:4,5]pyrrolo[1,2,3-de]quinoxalin-2(3H)-one, 8-[3-(4-fluorophenoxy)propyl]-6b,7,8,9,10,10a-hexahydro-, (6bR,10aS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
130277831
Created by admin on Wed Apr 02 07:53:55 GMT 2025 , Edited by admin on Wed Apr 02 07:53:55 GMT 2025
PRIMARY
FDA UNII
KHR1GLK9D0
Created by admin on Wed Apr 02 07:53:55 GMT 2025 , Edited by admin on Wed Apr 02 07:53:55 GMT 2025
PRIMARY
CAS
2117619-00-6
Created by admin on Wed Apr 02 07:53:55 GMT 2025 , Edited by admin on Wed Apr 02 07:53:55 GMT 2025
PRIMARY
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