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Details

Stereochemistry RACEMIC
Molecular Formula C11H15N3S.C4H4O4
Molecular Weight 337.394
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PD-128483 MALEATE, (±)-

SMILES

OC(=O)\C=C/C(O)=O.CN1CCC=C2C1CCC3=C2N=C(N)S3

InChI

InChIKey=YPUJEBWDQOIQEM-BTJKTKAUSA-N
InChI=1S/C11H15N3S.C4H4O4/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9;5-3(6)1-2-4(7)8/h3,8H,2,4-6H2,1H3,(H2,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C11H15N3S
Molecular Weight 221.322
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:53:14 GMT 2025
Edited
by admin
on Tue Apr 01 19:53:14 GMT 2025
Record UNII
3T2X2YPQ4E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PD-128483 MALEATE, (±)-
Common Name English
THIAZOLO(4,5-F)QUINOLIN-2-AMINE, 4,5,5A,6,7,8-HEXAHYDRO-6-METHYL-, (2Z)-2-BUTENEDIOATE (1:1)
Preferred Name English
Code System Code Type Description
FDA UNII
3T2X2YPQ4E
Created by admin on Tue Apr 01 19:53:14 GMT 2025 , Edited by admin on Tue Apr 01 19:53:14 GMT 2025
PRIMARY
PUBCHEM
9840755
Created by admin on Tue Apr 01 19:53:14 GMT 2025 , Edited by admin on Tue Apr 01 19:53:14 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY