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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29N3O2
Molecular Weight 415.5274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-82 FREE BASE

SMILES

COC1=C2C=CC=CC2=NC3=C1C(=O)N(CCC4CCN(CC5=CC=CC=C5)CC4)C3

InChI

InChIKey=UQMVECQBCVBXGA-UHFFFAOYSA-N
InChI=1S/C26H29N3O2/c1-31-25-21-9-5-6-10-22(21)27-23-18-29(26(30)24(23)25)16-13-19-11-14-28(15-12-19)17-20-7-3-2-4-8-20/h2-10,19H,11-18H2,1H3

HIDE SMILES / InChI

Molecular Formula C26H29N3O2
Molecular Weight 415.5274
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 15:21:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:41 GMT 2023
Record UNII
0ZY2ZG924T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
T-82 FREE BASE
Code English
2,3-DIHYDRO-9-METHOXY-2-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1H-PYRROLO(3,4-B)QUINOLIN-1-ONE
Systematic Name English
1H-PYRROLO(3,4-B)QUINOLIN-1-ONE, 2,3-DIHYDRO-9-METHOXY-2-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
142471-56-5
Created by admin on Sat Dec 16 15:21:41 GMT 2023 , Edited by admin on Sat Dec 16 15:21:41 GMT 2023
PRIMARY
FDA UNII
0ZY2ZG924T
Created by admin on Sat Dec 16 15:21:41 GMT 2023 , Edited by admin on Sat Dec 16 15:21:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID40162050
Created by admin on Sat Dec 16 15:21:41 GMT 2023 , Edited by admin on Sat Dec 16 15:21:41 GMT 2023
PRIMARY
PUBCHEM
178654
Created by admin on Sat Dec 16 15:21:41 GMT 2023 , Edited by admin on Sat Dec 16 15:21:41 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY