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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178951030Generated: October 23, 2026

2-{[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole

YM-53601 · (E)-2-[2-Fluoro-2-(quinuclidin-3-ylidene)ethoxy]-9H-carbazole monohydrochloride

https://huagongshe.com/en/chemical/178951030

2-{[(2E)-2-(1-Azabicyclo[2.2.2]oct-3-ylidene)-2-fluoroethyl]oxy}-9H-carbazole molecular structure

Identifiers & Physical Properties

CAS No.9077-14-9
Molecular formulaC21H22ClFN2O
Average molar mass372.9 g/mol
SMILESCl.F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2
InChIKeyJWXYVHMBPISIJQ-TVWXOORISA-N
ChEMBLCHEMBL2355206

Chemical & Physical Properties

Topological polar surface area28.3
Hydrogen bond donors2
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms26
Formal charge0
Complexity528
Melting point236.5-237.2 °C
SolubilityDMSO: 22 mg/mL
Physical statesolid
Coloroff-white
Safety statements (S)22-24/25
Water hazard class (WGK)3

Safety & Regulations

Water hazard class (WGK)3
Safety statements (S)22-24/25

Applications & Uses

Uses

YM-53601 is a squalene synthetase inhibitor.