chempirical

Ivabradine hydrochloride

C27H37ClN2O5CAS 148849-67-6505.05 g/mol

Open in Covalent MOL file
OOONNOOHCl
AmideEtherLactamTertiary amine

Properties

Molecular formula
C27H37ClN2O5
Molar mass
505.05 g/mol
Exact mass
504.2391 Da
logP
3.73Crippen estimate
Polar surface area
60.5 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
10
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
148849-67-6
SMILES
COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl
InChIKey
HLUKNZUABFFNQS-ZMBIFBSDSA-N
InChI
InChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1

Weigh it out

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

Names and synonyms

7 names
  • 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, hydrochloride (1:1)
  • 2H-3-Benzazepin-2-one, 3-[3-[[(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride, (S)-
  • 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, monohydrochloride
  • Bicyclo[4.2.0]octane, 2H-3-benzazepin-2-one deriv.
  • Corlentor
  • Procoralan
  • Corlanor

Work with Ivabradine hydrochloride

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

Ivabradine155974-00-896 % similar (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride866783-13-340 % similar (3R,11Br)-1,3,4,6,7,11B-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[A]quinolizin-2-one1026016-83-035 % similar (±)-Tetrabenazine58-46-835 % similar 1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-one148870-57-934 % similar Dl-Tetrahydropalmatine hydrochloride6024-85-734 % similar 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one85175-59-334 % similar Allocryptopine485-91-634 % similar

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

Elsewhere

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