Meconin

HCID 68437CAS 569-31-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc2c(c1OC)C(=O)OC2
InChIKey
ORFFGRQMMWVHIB-UHFFFAOYSA-N
Molecular formula
C10H10O4
Average molar mass
194.18 g/mol
Monoisotopic mass
194.0579088

Names & identifiers

Preferred name
Meconin
IUPAC
6,7-dimethoxy-3H-2-benzofuran-1-one
English name
6,7-dimethoxyphthalide
Molecular formula
C10H10O4
Molecular weight
194.184

Names & synonyms

Meconin569-31-3MECONINEOpianyl6,7-Dimethoxyphthalide6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-oneMK5R222CG0NSC-35547DTXSID60205433RefChem:810819DTXCID60127924209-311-8
Show more names
NSC 35547Meconin, 10 mM in DMSONoscapine Impurity 4(Meconine)Meconin (1.0 mg/mL in Chloroform)
6,7-dimethoxyisobenzofuran-1(3H)-one6,7-Dimethoxy-3H-1-isobenzofuranoneMeconic lactoneMekonin6,7-Dimethoxy-2-benzofuran-1(3H)-one6,7-dimethoxy-3H-2-benzofuran-1-oneMFCD002193546,7-Dimethoxy-1(3H)-isobenzofuranone

Database identifiers

CAS
569-31-3
PubChem CID
68437
DTXSID
DTXSID60205433
ChEMBL
CHEMBL1333869
ChEBI
CHEBI:173937
UNII
MK5R222CG0
EC Number
209-311-8
Nikkaji
J6.529C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Solubility2.5 mg/mL at 25 °C
Melting Point102.5 °C
Physical DescriptionSolid
Kovats Retention Index1768；1769；1765

Physicochemical properties

Melting point
103 ℃ · 103℃
Boiling point
290.62 °C · 290.62°C (rough estimate)
Density
1.2534 · 1.2534 (rough estimate)
refractive index
1.543 · 1.5430 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Uses & manufacturing

Use ClassificationPharmaceuticals

Applications

UsesA lactone of meconinic acid, extracted from opium. Meconin is a marker for illicit opiate use.

Upstream & downstream products

Suppliers50 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]

Additional notes

DefinitionChEBI: Meconine is a member of 2-benzofurans.

Related reactions

5 records
New reaction record

Linked notes

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