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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO2
Molecular Weight 207.2689
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDE

SMILES

CCNC(C)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=PVXVWWANJIWJOO-UHFFFAOYSA-N
InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17NO2
Molecular Weight 207.2689
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.02 µM [IC50]
9.3 µM [IC50]
1.27 µM [IC50]
18.8 µM [Ki]
12.2 µM [Ki]
Substance Class Chemical
Record UNII
ML1I4KK67B
Record Status Validated (UNII)
Record Version