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Cetamolol hydrochloride

CAT: 0931-T30799-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T30799-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77590-95-5
Target
Others, Adrenergic Receptor
Related Pathways
Others, Neuroscience, GPCR/G Protein
Bioactivity
Cetamolol hydrochloride is a biochemical.
Smiles
Cl.O=C(NC)COC=1C=CC=CC1OCC(O)CNC(C)(C)C
Molecular Formula
C16H27ClN2O4
Molecular Weight
346.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cetamolol Hydrochloride

See also: Cetamolol (has active moiety).

CAS Number77590-95-5
PubChem CID53697
IUPAC Name2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]-N-methylacetamide;hydrochloride
Molecular FormulaC16H27ClN2O4
Molecular Weight346.8
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity331
SMILES
CC(C)(C)NCC(COC1=CC=CC=C1OCC(=O)NC)O.Cl
InChI
InChI=1S/C16H26N2O4.ClH/c1-16(2,3)18-9-12(19)10-21-13-7-5-6-8-14(13)22-11-15(20)17-4;/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20);1H
InChIKey
CRYTUFSEASFGMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cetamolol Hydrochloride
CAS: 77590-95-5
CID: 53697
Formula: C16H27ClN2O4
MW: 346.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass346.1659350
Monoisotopic Mass346.1659350
Topological Polar Surface Area79.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity331
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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