chempirical

Carvedilol phosphate

C24H31N2O9PCAS 610309-89-2522.49 g/mol

Open in Covalent MOL file
OONHOHOHNH2OOPHOHOOH
AlcoholEtherPhosphateSecondary amine

Properties

Molecular formula
C24H31N2O9P
Molar mass
522.49 g/mol
Exact mass
522.1767 Da
logP
1.98Crippen estimate
Polar surface area
185.0 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
610309-89-2
SMILES
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O.O=P(O)(O)O
InChIKey
JAYBFQXVKDGMFT-UHFFFAOYSA-N
InChI
InChI=1S/C24H26N2O4.H3O4P.H2O/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);1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-, phosphate, hydrate (2:2:1)
  • 2-Propanol, 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-, phosphate (salt), hydrate (2:2:1)
  • SKF 105517D
  • Carvedilol phosphate hemihydrate
  • Carvedilol dihydrogen phosphate hemihydrate
  • Coreg CR

Work with Carvedilol phosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Carvedilol72956-09-3Free base

Similar compounds

Carazolol57775-29-855 % similar 4-(2,3-Epoxypropoxy)carbazole51997-51-440 % similar Guaifenesin93-14-138 % similar Propranolol525-66-636 % similar Pindolol13523-86-936 % similar Bevantolol hydrochloride42864-78-835 % similar (+)-Propranolol hydrochloride13071-11-935 % similar Propranolol hydrochloride318-98-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook