VUFB-14129

8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride

CAS: 77795-98-3

Molecular Formula	`C22H28Cl2F2N2`
Molecular Weight	429.4 g/mol
Topological Polar Surface Area	8.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	428.15976
Heavy Atoms	28
Complexity	432.0

Chemical Identifiers

CAS Number	77795-98-3
SMILES	`C1CC[NH+](C1)CC[NH+]2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.[Cl-].[Cl-]`
InChIKey	`FXIXBJPWEQCBHS-UHFFFAOYSA-N`

📖 Product Overview

VUFB-14129 (CAS: 77795-98-3) is a chemical compound with molecular formula C22H28Cl2F2N2 and molecular weight 429.4 g/mol. Its IUPAC systematic name is 8-fluoro-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-1-ium dichloride. Topological Polar Surface Area 8.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 428.15976 Heavy Atoms 28 Complexity 432.0 InChI Key: FXIXBJPWEQCBHS-UHFFFAOYSA-N. SMILES: C1CC[NH+](C1)CC[NH+]2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.[Cl-].[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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