VUFB-14126

1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate

CAS: 77795-96-1

Molecular Formula	`C24H26F2N2O5`
Molecular Weight	460.5 g/mol
Topological Polar Surface Area	102.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	460.18097
Heavy Atoms	33
Complexity	581.0

Chemical Identifiers

CAS Number	77795-96-1
SMILES	`C1CC[NH+](C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)[O-])O`
InChIKey	`IFQPDXFRMOFCFD-UHFFFAOYSA-N`

📖 Product Overview

VUFB-14126 (CAS: 77795-96-1) is a chemical compound with molecular formula C24H26F2N2O5 and molecular weight 460.5 g/mol. Its IUPAC systematic name is 1-[8-fluoro-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 102.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 460.18097 Heavy Atoms 33 Complexity 581.0 InChI Key: IFQPDXFRMOFCFD-UHFFFAOYSA-N. SMILES: C1CC[NH+](C1)CC(=O)N2CCCC(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)[O-])O.

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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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