chempirical

Ranolazine-D3

C24H30D3N3O4CAS 1054624-77-9430.56 g/mol

Open in Covalent MOL file
DDDOONNONHOH
AlcoholAmideEtherTertiary amine

Properties

Molecular formula
C24H30D3N3O4
Molar mass
430.56 g/mol
Exact mass
430.2659 Da
logP
2.31Crippen estimate
Polar surface area
74.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9

Identifiers

CAS number
1054624-77-9
SMILES
[2H]C([2H])([2H])OC1=CC=CC=C1OCC(CN2CCN(CC2)CC(=O)NC3=C(C=CC=C3C)C)O
InChIKey
XKLMZUWKNUAPSZ-HPRDVNIFSA-N
InChI
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/i3D3

Weigh it out

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

Work with Ranolazine-D3

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

Ranolazine hydrochloride95635-56-651 % similar (±)-Mephenesin59-47-241 % similar Naftopidil57149-07-239 % similar Naftopidil dihydrochloride57149-08-338 % similar Propranolol525-66-632 % similar (2-Methylphenoxy)acetic acid1878-49-532 % similar Guaifenesin93-14-132 % similar O-Cresyl glycidyl ether2210-79-932 % similar

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

Same formula

Ranolazine95635-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook