Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate

4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate

CAS: 63377-12-8

Molecular Formula	`C23H32FNO7`
Molecular Weight	453.5 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	453.21628
Heavy Atoms	32
Complexity	534.0

Chemical Identifiers

CAS Number	63377-12-8
SMILES	`CCC1COC(OC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C.C(=O)(C(=O)[O-])O`
InChIKey	`IECQVCNPHZYEGL-UHFFFAOYSA-N`

📖 Product Overview

Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate (CAS: 63377-12-8) is a chemical compound with molecular formula C23H32FNO7 and molecular weight 453.5 g/mol. Its IUPAC systematic name is 4-(5-ethyl-2-methyl-1,3-dioxa-9-azoniaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 453.21628 Heavy Atoms 32 Complexity 534.0 InChI Key: IECQVCNPHZYEGL-UHFFFAOYSA-N. SMILES: CCC1COC(OC12CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F)C.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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Butyrophenone, 4-(5-ethyl-2-methyl-1,3-dioxa-9-azaspiro(5.5)undec-9-yl)-4'-fluoro-, oxalate.

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