SIM-6802

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H26ClFN4O4
Molecular Weight	500.95
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OCCN2CC3(CC3)C4(C2)OCCO4)C=C5C(NC6=CC(Cl)=C(F)C=C6)=NC=NC5=C1

InChI

InChIKey=OXWUWXCJDBRCCG-UHFFFAOYSA-N

InChI=1S/C25H26ClFN4O4/c1-32-21-12-20-17(23(29-15-28-20)30-16-2-3-19(27)18(26)10-16)11-22(21)33-7-6-31-13-24(4-5-24)25(14-31)34-8-9-35-25/h2-3,10-12,15H,4-9,13-14H2,1H3,(H,28,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H26ClFN4O4
Molecular Weight	500.95
Charge	0
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 23:41:17 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:17 GMT 2025`
Record UNII	58K797D5IK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SIMOTINIB

Preferred Name

English

SIM-6802

Common Name

English

Simotinib [WHO-DD]

Common Name

English

4-QUINAZOLINAMINE, N-(3-CHLORO-4-FLUOROPHENYL)-6-(2-(5,8-DIOXA-10-AZADISPIRO(2.0.4.3)UNDEC-10-YL)ETHOXY)-7-METHOXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

16735117