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Buflomedil Hydrochloride

CAT: 1299-RM-B210600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B210600-01Size:10 mg
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CAS Number
35543-24-9
Synonyms
4- (pyrrolidin-1-yl) -1- (2,4,6-trimethoxyphenyl) butan-1-one hydrochloride
Molecular Formula
C17H26ClNO4
Molecular Weight
343.85
Target Alternative Name
Buflomedil
Product Name Synonym
4- (pyrrolidin-1-yl) -1- (2,4,6-trimethoxyphenyl) butan-1-one hydrochloride

Chemical Information

Buflomedil Hydrochloride
CAS Number35543-24-9
PubChem CID6420013
IUPAC Name4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one;hydrochloride
Molecular FormulaC17H26ClNO4
Molecular Weight343.8
Topological Polar Surface Area48
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity330
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC2)OC.Cl
InChI
InChI=1S/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H
InChIKey
ZDPACSAHMZADFZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Buflomedil Hydrochloride
CAS: 35543-24-9
CID: 6420013
Formula: C17H26ClNO4
MW: 343.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass343.1550360
Monoisotopic Mass343.1550360
Topological Polar Surface Area48 Ų
Heavy Atom Count23
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes