Metoprolol IMpurity 12
PubChem CID
117064500
Structure
Molecular Formula
Synonyms
- Metoprolol IMpurity 12
- 1486464-40-7
- SCP5NV8XQB
- 1-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-propan-2-ylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol;hydrochloride
- 1,1'-((1-Methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)-2-propanol) hydrochloride
Molecular Weight
512.1 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Parent Compound
Component Compounds
Dates
- Create:2016-01-30
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since too flexible, mixture or salt
1-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-propan-2-ylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol;hydrochloride
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C27H41NO6.ClH/c1-21(2)28(17-24(29)19-33-26-9-5-22(6-10-26)13-15-31-3)18-25(30)20-34-27-11-7-23(8-12-27)14-16-32-4;/h5-12,21,24-25,29-30H,13-20H2,1-4H3;1H
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
DLLKKRCTYCMVLB-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)CC(COC2=CC=C(C=C2)CCOC)O.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C27H42ClNO6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
1486464-40-7
- Metoprolol IMpurity 12
- 1486464-40-7
- SCP5NV8XQB
- 1-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-propan-2-ylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol;hydrochloride
- 1,1'-((1-Methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)-2-propanol) hydrochloride
- 3,3'-(isopropylazanediyl)bis(1-(4-(2-methoxyethyl)phenoxy)propan -2-ol) hydrochloride
- 3,3'-(Isopropylazanediyl)bis(1-(4-(2-methoxyethyl)phenoxy)propan-2-ol) hydrochloride
- 3,3'-(Isopropylazanediyl)bis(1-(4-(2-methoxyethyl)phenoxy)propan-2-ol)hydrochloride
- 1-((2-Hydroxy-3-(4-(2-methoxyethyl)phenoxy)propyl)-propan-2-ylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol hydrochloride
- 2-Propanol, 1,1'-((1-methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)-, hydrochloride (1:1)
- UNII-SCP5NV8XQB
- 1,1'-[(1-Methylethyl)imino]bis[3-[4-(2-methoxyethyl)phenoxy]propan-2-ol] Hydrochloride
- Metoprolol Related Compound D; Metoprolol Related Compound D as Hydrochloride; Metoprolol Succinate Impurity O as Hydrochloride; Metoprolol Tartrate Impurity O as Hydrochloride; Metoprolol Impurity O as Hydrochloride; Metoprolol Impurity O as Hydrochloride
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
512.1 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
17
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
511.2700658 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
511.2700658 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
80.6 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
35
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
452
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus1,1'-((1-Methylethyl)imino)bis(3-(4-(2-methoxyethyl)phenoxy)-2-propanol) hydrochloridehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=1486464407ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking1,1'-((1-METHYLETHYL)IMINO)BIS(3-(4-(2-METHOXYETHYL)PHENOXY)-2-PROPANOL) HYDROCHLORIDEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/SCP5NV8XQB
- PubChem
CONTENTS