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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N2O4
Molecular Weight 382.4528
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOFISOLINE

SMILES

CCC1=C(C)[N+]([NH-])=C(C2=CC(OC)=C(OC)C=C2)C3=CC(OC)=C(OC)C=C13

InChI

InChIKey=IQLRWLFPGKTMDX-UHFFFAOYSA-N
InChI=1S/C22H26N2O4/c1-7-15-13(2)24(23)22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,23H,7H2,1-6H3

HIDE SMILES / InChI

Molecular Formula C22H27N2O4
Molecular Weight 383.4608
Charge 1
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 Fri Dec 15 15:40:07 GMT 2023
Edited
by admin
on Fri Dec 15 15:40:07 GMT 2023
Record UNII
2AV3RNM4HV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOFISOLINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
Code System Code Type Description
CAS
29726-99-6
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
FDA UNII
2AV3RNM4HV
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
MESH
C009498
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
PUBCHEM
72149
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
NCI_THESAURUS
C76949
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105327
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID80183880
Created by admin on Fri Dec 15 15:40:07 GMT 2023 , Edited by admin on Fri Dec 15 15:40:07 GMT 2023
PRIMARY