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N-Acetal Bromopride

CAT: 0572-TRC-A171100-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A171100-50MGSize:50 mg
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CAS Number
94135-22-5
Synonyms
4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide; Bromopride Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCN(CC)CCNC(=O)c1cc(Br)c(NC(=O)C)cc1OC
Molecular Formula
C16H24BrN3O3
Molecular Weight
386.28
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CAS Number94135-22-5
PubChem CID3023712
IUPAC Name4-acetamido-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Molecular FormulaC16H24BrN3O3
Molecular Weight386.28
XLogP2.7
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity391
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC(=O)C)Br
InChI
InChI=1S/C16H24BrN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)
InChIKey
UOWCNHGEKKEIDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Acetylamino)-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CAS: 94135-22-5
CID: 3023712
Formula: C16H24BrN3O3
MW: 386.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.28
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass385.10010
Monoisotopic Mass385.10010
Topological Polar Surface Area70.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity391
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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