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Details

Stereochemistry MIXED
Molecular Formula C28H26N4O2
Molecular Weight 450.5316
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOLPADOL

SMILES

CC1=C(C=CC=C1)C(=O)NC(C(NC(=O)C2=C(C)C=CC=C2)C3=CC=NC=C3)C4=CC=NC=C4

InChI

InChIKey=XOCZGIFMFBFPGQ-UHFFFAOYSA-N
InChI=1S/C28H26N4O2/c1-19-7-3-5-9-23(19)27(33)31-25(21-11-15-29-16-12-21)26(22-13-17-30-18-14-22)32-28(34)24-10-6-4-8-20(24)2/h3-18,25-26H,1-2H3,(H,31,33)(H,32,34)

HIDE SMILES / InChI

Molecular Formula C28H26N4O2
Molecular Weight 450.5316
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:55:17 GMT 2023
Edited
by admin
on Sat Dec 16 16:55:17 GMT 2023
Record UNII
4GTL21MU0H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOLPADOL
INN  
INN  
Official Name English
tolpadol [INN]
Common Name English
N,N'-(1,2-DI-4-PYRIDYLETHYLENE)BIS(O-TOLUAMIDE)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
Code System Code Type Description
FDA UNII
4GTL21MU0H
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105547
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
NCI_THESAURUS
C152688
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
INN
5238
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
EVMPD
SUB11171MIG
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
SMS_ID
100000077762
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
CAS
77502-27-3
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
PUBCHEM
71220
Created by admin on Sat Dec 16 16:55:17 GMT 2023 , Edited by admin on Sat Dec 16 16:55:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY