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NAN-190 hydrobromide 100mg

CAT: 0628-A13417-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13417-100Size:100 mg
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CAS Number
115388-32-4

Chemical Information

2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)

NAN 190 hydrobromide is a hydrobromide obtained by reaction of NAN 190 with one equivalent of hydrobromic acid. It has a role as a serotonergic antagonist. It contains a NAN 190(1+).

CAS Number115388-32-4
PubChem CID107966
IUPAC Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione;hydrobromide
Molecular FormulaC23H28BrN3O3
Molecular Weight474.4
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity552
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O.Br
InChI
InChI=1S/C23H27N3O3.BrH/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28;/h2-5,8-11H,6-7,12-17H2,1H3;1H
InChIKey
AXRUEPFPTQYHQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CAS: 115388-32-4
CID: 107966
Formula: C23H28BrN3O3
MW: 474.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass473.13140
Monoisotopic Mass473.13140
Topological Polar Surface Area53.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6349-100NAN-190 hydrobromide
HY-19818A-01NAN-190 (hydrobromide)
HY-19818AR-01NAN-190 (hydrobromide) (Standard)
HY-19818NAN-190
833460NAN-NL-NAN-GPI-OR-20 AO LOTO
833356NAN-FR-NAN-A Scafftag Inspection Tag Holders
833397NAN-FR-PK-NAN-I-OR AO LOTO
833445NAN-NL-NAN-GP-OR-20 AO LOTO
833444NAN-NL-NAN-A Scafftag Inspection Tag Holders
833391NAN-FR-NAN-I-OR-20 AO LOTO

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