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Ethybenztropine HBr

CAT: 0013-GTR19210404-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210404-01Size:25 mg
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Description
Ethybenztropine HBr
CAS Number
24815-25-6
Field of Research
Neuroscience
Smiles
C (O[C@H]1C[C@@]2 (N (CC) [C@] (C1) (CC2) [H]) [H]) (C3=CC=CC=C3) C4=CC=CC=C4.Br
Molecular Formula
C22H28BrNO
Molecular Weight
402.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethybenztropine hydrobromide
CAS Number24815-25-6
PubChem CID71587064
IUPAC Name(1R,5S)-3-benzhydryloxy-8-ethyl-8-azabicyclo[3.2.1]octane;hydrobromide
Molecular FormulaC22H28BrNO
Molecular Weight402.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity353
SMILES
CCN1[C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.Br
InChI
InChI=1S/C22H27NO.BrH/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19-22H,2,13-16H2,1H3;1H/t19-,20+,21?;
InChIKey
VDVKOVNNSSRFGV-ILOBMFFHSA-N
Chemical Structure
2D Structure
2D structure of Ethybenztropine hydrobromide
CAS: 24815-25-6
CID: 71587064
Formula: C22H28BrNO
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass401.13543
Monoisotopic Mass401.13543
Topological Polar Surface Area12.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count2
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

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HY-118406Ethybenztropine
MBS5812095Ethybenztropine HCl
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MBS5812162Ethybenztropine HBr
HY-118406AEthybenztropine (hydrochloride)

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