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Benactyzine hydrochloride

CAT: 0957-S3701-25mgSize: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S3701-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57-37-4
Target
AChR
Applications
Neuronal Signaling
Smiles
CCN (CC) CCOC (=O) C (C1=CC=CC=C1) (C2=CC=CC=C2) O.Cl
Molecular Formula
C20H25NO3.HCl
Additionnal Information
Benactyzine hydrochloride is a centrally acting muscarinic antagonist. It is used as an antidepressant in the treatment of depression and associated anxiety.
Storage Conditions
2 years -80 in solvent

Chemical Information

Benactyzine Hydrochloride

See also: Benactyzine (has active moiety).

CAS Number57-37-4
PubChem CID66448
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
Molecular FormulaC20H26ClNO3
Molecular Weight363.9
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity351
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H
InChIKey
ZCEHOOLYWQBGQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benactyzine Hydrochloride
CAS: 57-37-4
CID: 66448
Formula: C20H26ClNO3
MW: 363.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass363.1601214
Monoisotopic Mass363.1601214
Topological Polar Surface Area49.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity351
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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