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O-Desmethylcarvedilol

CAT: 0127-OR1075408Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1075408Size:1 Each
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CAS Number
72956-44-6
MDL Number
MFCD03701160
Purity
98%
Smiles
OC1=C(OCCNCC(COC2=CC=CC3=C2C4=C(C=CC=C4)N3)O)C=CC=C1

Chemical Information

Desmethylcarvedilol

O-Desmethylcarvedilol is a member of carbazoles.

CAS Number72956-44-6
PubChem CID155763
IUPAC Name2-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]phenol
Molecular FormulaC23H24N2O4
Molecular Weight392.4
XLogP3.9
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CNCCOC4=CC=CC=C4O)O
InChI
InChI=1S/C23H24N2O4/c26-16(14-24-12-13-28-21-10-4-3-9-20(21)27)15-29-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,24-27H,12-15H2
InChIKey
XAUKPPPYYOKVQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmethylcarvedilol
CAS: 72956-44-6
CID: 155763
Formula: C23H24N2O4
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass392.17360725
Monoisotopic Mass392.17360725
Topological Polar Surface Area86.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-Z7733O-Desmethylcarvedilol
MBS6025024-01(R)-(+)-O-Desmethylcarvedilol
D3220-86QS- (-) -O-Desmethylcarvedilol
D3220-86P(R) - (+) -O-Desmethylcarvedilol
MBS6038647-01(S)-(-)-O-Desmethylcarvedilol
B1077-96VS- (-) -O-Benzyl-O-desmethylcarvedilol
MBS6108169-01(S)-(-)-O-Benzyl-O-desmethylcarvedilol
sc-220038(S) - (-) -O-Benzyl-O-desmethylcarvedilol
MBS6089296-012'-O-Benzyloxy-2-O-desmethylcarvedilol
B1078-02W2’-O-Benzyloxy-2-O-desmethylcarvedilol

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