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Meconin

CAT: 0013-GTR19216516-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216516-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Meconin is a noscapine metabolite and a useful adjunct in detecting illicit opiate use.
CAS Number
569-31-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (514.99 mM)
Smiles
COc1ccc2COC (=O) c2c1OC
Molecular Formula
C10H10O4
Molecular Weight
194.186
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Meconin

Meconine is a member of 2-benzofurans.

CAS Number569-31-3
PubChem CID68437
IUPAC Name6,7-dimethoxy-3H-2-benzofuran-1-one
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP1.3
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity228
SMILES
COC1=C(C2=C(COC2=O)C=C1)OC
InChI
InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3
InChIKey
ORFFGRQMMWVHIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meconin
CAS: 569-31-3
CID: 68437
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area44.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity228
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

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MBS6068943-01Meconin
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