CARVEDILOL PHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 15DX7Y16JB
Parent Compound: CARVEDILOL

Structure

InChI Key XCPXNPBILMXKNX-UHFFFAOYSA-N
Smiles COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O
InChI
InChI=1S/C24H26N2O4.H3O4P/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20;1-5(2,3)4/h2-12,17,25-27H,13-16H2,1H3;(H3,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29N2O8P
Molecular Weight 504.48
AlogP 3.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 75.74
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 antagonist ANTAGONIST FDA

Target Conservation

Protein: Adrenergic receptor beta
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Adrenergic receptor beta
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591
Protein: Adrenergic receptor beta
Description: Beta-3 adrenergic receptor
Organism : Homo sapiens
P13945 ENSG00000188778
Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
ChEMBL CHEMBL1201167
FDA SRS 15DX7Y16JB
PubChem 11954344
SureChEMBL SCHEMBL194220
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