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Benactyzine hydrochloride

CAT: 0607-C6667-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-C6667-100Size:100 mg
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CAS Number
57-37-4
Product Name Alternative
2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate hydrochloride
Field of Research
Neuronal Signaling AChR
Purity
0.999
Solubility
≥59.3 mg/mL in DMSO; ≥15.13 mg/mL in EtOH with ultrasonic; ≥17.8 mg/mL in H2O with ultrasonic
Smiles
O=C(OCCN(CC)CC)C(C1=CC=CC=C1)(O)C2=CC=CC=C2.[H]Cl
Molecular Formula
C20H26ClNO3
Molecular Weight
363.88
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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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