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Mecarbinate

CAT: 0013-GTR19163030-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163030-02Size:500 mg
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Description
Mecarbinate is a chemical intermediate of arbidol hydrochloride.
CAS Number
15574-49-9
Purity
>98% (HPLC)
Solubility
DMSO: 47 mg/mL (201.49 mM)
Smiles
CCOC (=O) C1=C (C) N (C) C2=C1C=C (O) C=C2
Molecular Formula
C13H15NO3
Molecular Weight
233.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mecarbinate

Mecarbinate is a small molecule drug. Mecarbinate has a monoisotopic molecular weight of 233.11 Da.

CAS Number15574-49-9
PubChem CID616236
IUPAC Nameethyl 5-hydroxy-1,2-dimethylindole-3-carboxylate
Molecular FormulaC13H15NO3
Molecular Weight233.26
XLogP2.3
Topological Polar Surface Area51.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity294
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)C)C
InChI
InChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3
InChIKey
YTBNTDMBGXAOCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mecarbinate
CAS: 15574-49-9
CID: 616236
Formula: C13H15NO3
MW: 233.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.26
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.10519334
Monoisotopic Mass233.10519334
Topological Polar Surface Area51.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2109-5.1Mecarbinate
A11744-500Mecarbinate 500mg
A11744-1000Mecarbinate 1g
A11744-10mM-DMecarbinate 10mM * 1mL in DMSO

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