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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H37N3O3S
Molecular Weight 423.612
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSD-506 FREE BASE

SMILES

CCCN(CCCCN1CCNCCC1=O)[C@@H](C)CC2=CC=C(C=C2)S(C)(=O)=O

InChI

InChIKey=LKSVNYOHPRHYSG-IBGZPJMESA-N
InChI=1S/C22H37N3O3S/c1-4-14-24(15-5-6-16-25-17-13-23-12-11-22(25)26)19(2)18-20-7-9-21(10-8-20)29(3,27)28/h7-10,19,23H,4-6,11-18H2,1-3H3/t19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H37N3O3S
Molecular Weight 423.612
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:11:59 GMT 2025
Edited
by admin
on Mon Mar 31 18:11:59 GMT 2025
Record UNII
TM17E18TOR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSD-506 FREE BASE
Code English
5H-1,4-DIAZEPIN-5-ONE, HEXAHYDRO-4-(4-(((1S)-1-METHYL-2-(4-(METHYLSULFONYL)PHENYL)ETHYL)PROPYLAMINO)BUTYL)-
Preferred Name English
Code System Code Type Description
SMS_ID
300000042465
Created by admin on Mon Mar 31 18:11:59 GMT 2025 , Edited by admin on Mon Mar 31 18:11:59 GMT 2025
PRIMARY
CAS
754177-77-0
Created by admin on Mon Mar 31 18:11:59 GMT 2025 , Edited by admin on Mon Mar 31 18:11:59 GMT 2025
PRIMARY
FDA UNII
TM17E18TOR
Created by admin on Mon Mar 31 18:11:59 GMT 2025 , Edited by admin on Mon Mar 31 18:11:59 GMT 2025
PRIMARY
PUBCHEM
10273877
Created by admin on Mon Mar 31 18:11:59 GMT 2025 , Edited by admin on Mon Mar 31 18:11:59 GMT 2025
PRIMARY