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Dehydroevodiamine hydrochloride

CAT: 1568-C09646-5mgSize: 5 mgDry Ice: YesHazardous: No
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CAT#:1568-C09646-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111664-82-5
Target
AChR
Applications
Neuronal Signaling
Smiles
CN1C2=CC=CC=C2C (=O) N3C1=C4C (=C5C=CC=CC5=N4) CC3.Cl
Molecular Formula
C19H15N3O.HCl
Additionnal Information
Dehydroevodiamine (DHE), a major phytochemical in fruits of Evodia rutaecarpa, can inhibit AChE. It has hypotensive and neuroprotective effects and modulates nitric oxide production.
Storage Conditions
2 years -80 in solvent

Chemical Information

14-Methyl-8,14-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one hydrochloride

See also: Dehydroevodiamine Chloride (preferred).

CAS Number111664-82-5
PubChem CID135393457
IUPAC Name21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one;hydrochloride
Molecular FormulaC19H16ClN3O
Molecular Weight337.8
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity753
SMILES
CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3.Cl
InChI
InChI=1S/C19H15N3O.ClH/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22;/h2-9H,10-11H2,1H3;1H
InChIKey
SVOMSEHNGXLQRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 14-Methyl-8,14-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one hydrochloride
CAS: 111664-82-5
CID: 135393457
Formula: C19H16ClN3O
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass337.0981898
Monoisotopic Mass337.0981898
Topological Polar Surface Area35.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity753
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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