chempirical

Nadolol

C17H27NO4CAS 42200-33-9309.41 g/mol

Open in Covalent MOL file
HNHOOHOOH
AlcoholEtherSecondary amine

Properties

Molecular formula
C17H27NO4
Molar mass
309.41 g/mol
Exact mass
309.1940 Da
Melting point
124–136 °C
logP
0.63Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5

Identifiers

CAS number
42200-33-9
SMILES
CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2
InChIKey
VWPOSFSPZNDTMJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3

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

Names and synonyms

6 names
  • 2,3-Naphthalenediol, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-
  • 5-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol
  • SQ 11725
  • Corgard
  • Solgol
  • Anabet

Work with Nadolol

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

Similar compounds

Carteolol hydrochloride51781-21-656 % similar Levobunolol47141-42-455 % similar Propranolol525-66-639 % similar Celiprolol56980-93-938 % similar (+)-Propranolol hydrochloride13071-11-937 % similar Propranolol hydrochloride318-98-937 % similar Propranolol hydrochloride3506-09-037 % similar (S)-Propranolol hydrochloride4199-10-437 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook