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Diacetolol Hydrochloride

CAT: 0572-TRC-D305210-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D305210-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73899-76-0
Synonyms
Acebutolol Hydrochloride Imp. B (EP); Acebutolol Imp. B (EP); Acebutolol USP Related Compound B; Acebutolol USP RC B; N-[3-Acetyl-4-[(2RS)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide Hydrochloride; Acebutolol Hydrochloride Imp. B (EP) as Hydrochloride; Diacetolol Hydrochloride; Acebutolol Related Compound B as Hydrochloride; Acebutolol Hydrochloride Impurity B as Hydrochloride; Acebutolol Impurity B as Hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.CC(C)NCC(O)COc1ccc(NC(=O)C)cc1C(=O)C
Molecular Formula
C16 H24 N2 O4 . Cl H
Molecular Weight
344.83
InChI
InChI=1S/C16H24N2O4.ClH/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19;/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20);1H
Additionnal Information
IUPAC name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Diacetolol hydrochloride
CAS Number73899-76-0
PubChem CID50893
IUPAC NameN-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide;hydrochloride
Molecular FormulaC16H25ClN2O4
Molecular Weight344.8
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity373
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O.Cl
InChI
InChI=1S/C16H24N2O4.ClH/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19;/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20);1H
InChIKey
RRLYGXRMVLYFNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diacetolol hydrochloride
CAS: 73899-76-0
CID: 50893
Formula: C16H25ClN2O4
MW: 344.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass344.1502850
Monoisotopic Mass344.1502850
Topological Polar Surface Area87.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity373
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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