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

Details

Stereochemistry RACEMIC
Molecular Formula C11H13Cl3N4O4
Molecular Weight 371.604
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRICLOFYLLINE

SMILES

CN1C2=C(N(CCOC(O)C(Cl)(Cl)Cl)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=VZKRRCHBLUTMPU-UHFFFAOYSA-N
InChI=1S/C11H13Cl3N4O4/c1-16-7-6(8(19)17(2)10(16)21)18(5-15-7)3-4-22-9(20)11(12,13)14/h5,9,20H,3-4H2,1-2H3

HIDE SMILES / InChI
Name Type Language
TRICLOFYLLINE
INN  
INN  
Official Name English
7-(2-(2,2,2-TRICHLORO-1-HYDROXYETHOXY)ETHYL)THEOPHYLLINE, (±)-
Systematic Name English
triclofylline [INN]
Common Name English
(±)-7-(2-(2,2,2-TRICHLORO-1-HYDROXYETHOXY)ETHYL)THEOPHYLLINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C319
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2104491
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
NCI_THESAURUS
C76577
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID00864760
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
INN
2441
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
PUBCHEM
3084275
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
CAS
17243-70-8
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
SMS_ID
100000077718
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
EVMPD
SUB11275MIG
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY
FDA UNII
2T7T4YO42R
Created by admin on Fri Dec 15 16:14:02 GMT 2023 , Edited by admin on Fri Dec 15 16:14:02 GMT 2023
PRIMARY