TOFISOLINE

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NCATS

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

Structure Search

SMILES

CCC1=C(C)[N+]([NH-])=C(C2=CC(OC)=C(OC)C=C2)C3=C1C=C(OC)C(OC)=C3

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 `Mon Mar 31 18:04:50 GMT 2025` Edited by `admin` on `Mon Mar 31 18:04:50 GMT 2025`
Record UNII	2AV3RNM4HV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOFISOLINE

Preferred Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

Code System Code Type Description

CAS

29726-99-6

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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FDA UNII

2AV3RNM4HV

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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MESH

C009498

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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PUBCHEM

72149

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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NCI_THESAURUS

C76949

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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ChEMBL

CHEMBL2105327

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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EPA CompTox

DTXSID80183880

Created by admin on Mon Mar 31 18:04:50 GMT 2025 , Edited by admin on Mon Mar 31 18:04:50 GMT 2025

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