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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H19N3O2S
Molecular Weight 425.502
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TULOPAFANT

SMILES

O=C(NC1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C3=C4CS[C@@H](N4C=C3)C5=CN=CC=C5

InChI

InChIKey=PQQFNXGONTVQLM-RUZDIDTESA-N
InChI=1S/C25H19N3O2S/c29-23(17-6-2-1-3-7-17)18-8-4-10-20(14-18)27-24(30)21-11-13-28-22(21)16-31-25(28)19-9-5-12-26-15-19/h1-15,25H,16H2,(H,27,30)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H19N3O2S
Molecular Weight 425.502
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 Fri Dec 15 15:31:23 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:23 UTC 2023
Record UNII
IQ3Q8N1287
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TULOPAFANT
INN  
INN  
Official Name English
tulopafant [INN]
Common Name English
(+)-3'-BENZOYL-3-(3-PYRIDYL)-1H,3H-PYRROLO(1,2-C)THIAZOLE-7-CARBOXANILIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
Code System Code Type Description
CAS
116289-53-3
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
PUBCHEM
44370579
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL349811
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
INN
6674
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
NCI_THESAURUS
C81573
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
FDA UNII
IQ3Q8N1287
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
SMS_ID
100000077471
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
EVMPD
SUB11366MIG
Created by admin on Fri Dec 15 15:31:23 UTC 2023 , Edited by admin on Fri Dec 15 15:31:23 UTC 2023
PRIMARY
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