2-[2-[2-[3-[[(7S)-3,4-Dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propylamino]ethyl]-4,5-dimethoxyphenyl]acetic acid

C27H38N2O6CAS 1462470-54-7486.61 g/mol

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NNHOHOOOOO
Carboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C27H38N2O6
Molar mass
486.61 g/mol
Exact mass
486.2730 Da
logP
3.14Crippen estimate
Polar surface area
89.5 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
15
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
1462470-54-7
SMILES
CN(CCCNCCC1=CC(=C(C=C1CC(=O)O)OC)OC)C[C@H]2CC3=CC(=C(C=C23)OC)OC
InChIKey
RPBKQHNGUAYMKY-OAQYLSRUSA-N
InChI
InChI=1S/C27H38N2O6/c1-29(17-21-11-20-14-25(34-4)26(35-5)16-22(20)21)10-6-8-28-9-7-18-12-23(32-2)24(33-3)13-19(18)15-27(30)31/h12-14,16,21,28H,6-11,15,17H2,1-5H3,(H,30,31)/t21-/m1/s1

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Names and synonyms

3 names
  • Amino acids
  • Seco-Ivabradine Amino Acid Sodium
  • Ivabradine USP rc ivabradine open ring

Work with 2-[2-[2-[3-[[(7S)-3,4-Dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propylamino]ethyl]-4,5-dimethoxyphenyl]acetic acid

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Similar compounds

Ivabradine155974-00-862 % similar Ivabradine hydrochloride148849-67-660 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-540 % similar 2-Methoxyphenylacetic acid93-25-438 % similar (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid73357-18-337 % similar 2,5-Dimethoxyphenylacetic acid1758-25-436 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-536 % similar (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride866783-13-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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