Fentonium bromide

Fentonium bromide
Clinical data
ATC code	A03BB04 (WHO) ;
Pharmacokinetic data
Bioavailability	1
Identifiers
	IUPAC name [8-Methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide;
CAS Number	5868-06-4 check;
PubChem CID	71534;
DrugBank	DB08978 ☒;
ChemSpider	64607;
UNII	XS152O7VCZ;
KEGG	D07951;
E number	{{#property:P628}}
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Chemical and physical data
Formula	C31H34BrNO4
Molar mass	564.520 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-];
	InChI InChI=1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1; Key:MPLNGQBULSHWQW-UHFFFAOYSA-M;
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Fentonium bromide (INN) is an anticholinergic and antispasmodic atropine derivative.^[1] In the US its patent number is 3,356,682.^[2] It is sold by Sanofi-Aventis and Zambon.^[3]

References

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Clinical data

ATC code	A03BB04 (WHO)
Pharmacokinetic data
Bioavailability	1
Identifiers
IUPAC name [8-Methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
CAS Number	5868-06-4^checkY
PubChem CID	71534
DrugBank	DB08978^☒N
ChemSpider	64607
UNII	XS152O7VCZ
KEGG	D07951
E number	{{#property:P628}}
CompTox Dashboard (EPA)	{{#property:P3117}}Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).
ECHA InfoCard	{{#property:P2566}}Lua error in Module:EditAtWikidata at line 29: attempt to index field 'wikibase' (a nil value).
Chemical and physical data
Formula	C₃₁H₃₄BrNO₄
Molar mass	564.520 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-]
InChI InChI=1S/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1 Key:MPLNGQBULSHWQW-UHFFFAOYSA-M
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