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Metoprolol Tartrate

CAT: 0607-B1339-SSize: Evaluation SampleDry Ice: NoHazardous: No
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Description
β1-adrenergic blocking agent
CAS Number
56392-17-7
Product Name Alternative
(2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.9965
Form
A solid
Solubility
≥32.25 mg/mL in DMSO; ≥10.47 mg/mL in EtOH with ultrasonic; ≥108.6 mg/mL in H2O
Smiles
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
Molecular Formula
2C15H25NO3��C4H6O6
Molecular Weight
684.81
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Metoprolol Tartrate

Metoprolol tartrate is an alcohol and a member of phenols.

CAS Number56392-17-7
PubChem CID441308
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;bis(1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
Molecular FormulaC34H56N2O12
Molecular Weight684.8
Topological Polar Surface Area217
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Heavy Atom Count48
Formal Charge0
Complexity349
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChIKey
YGULWPYYGQCFMP-CEAXSRTFSA-N
Chemical Structure
2D Structure
2D structure of Metoprolol Tartrate
CAS: 56392-17-7
CID: 441308
Formula: C34H56N2O12
MW: 684.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight684.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count21
Exact Mass684.38332523
Monoisotopic Mass684.38332523
Topological Polar Surface Area217 Ų
Heavy Atom Count48
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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