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Bunolol hydrochloride

CAT: 0931-T30614-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30614-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31969-05-8
Target
Others
Related Pathways
Others
Bioactivity
Bunolol hydrochloride is a biochemical.
Smiles
Cl.CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12
Molecular Formula
C17H26ClNO3
Molecular Weight
327.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bunolol Hydrochloride

See also: Levobunolol (related).

CAS Number31969-05-8
PubChem CID68657
IUPAC Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
Molecular FormulaC17H26ClNO3
Molecular Weight327.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O.Cl
InChI
InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H
InChIKey
DNTDOBSIBZKFCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bunolol Hydrochloride
CAS: 31969-05-8
CID: 68657
Formula: C17H26ClNO3
MW: 327.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass327.1601214
Monoisotopic Mass327.1601214
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
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