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Drobuline hydrochloride

CAT: 0931-T11097-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11097-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68162-52-7
Target
Others
Related Pathways
Others
Purity
0.998
Bioactivity
Drobuline hydrochloride, an anti-arrhythmic agent with cardiac depressant activity, is used to manage abnormal heart rhythms.
Smiles
Cl.OC(CNC(C)C)CC(C=1C=CC=CC1)C=2C=CC=CC2
Molecular Formula
C19H26ClNO
Molecular Weight
319.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Drobuline Hydrochloride

See also: Drobuline (has active moiety).

CAS Number68162-52-7
PubChem CID24198611
IUPAC Name4,4-diphenyl-1-(propan-2-ylamino)butan-2-ol;hydrochloride
Molecular FormulaC19H26ClNO
Molecular Weight319.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity249
SMILES
CC(C)NCC(CC(C1=CC=CC=C1)C2=CC=CC=C2)O.Cl
InChI
InChI=1S/C19H25NO.ClH/c1-15(2)20-14-18(21)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,15,18-21H,13-14H2,1-2H3;1H
InChIKey
YKYKDSHUKOVMBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Drobuline Hydrochloride
CAS: 68162-52-7
CID: 24198611
Formula: C19H26ClNO
MW: 319.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass319.1702921
Monoisotopic Mass319.1702921
Topological Polar Surface Area32.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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