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Details

Stereochemistry RACEMIC
Molecular Formula C14H17NO3
Molecular Weight 247.2897
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDPPP

SMILES

CC(N1CCCC1)C(=O)C2=CC3=C(OCO3)C=C2

InChI

InChIKey=NIYQOTCYXGXMPI-UHFFFAOYSA-N
InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H17NO3
Molecular Weight 247.2897
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
75.0 µM [IC50]
0.97 nM [IC50]
0.53 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
83IP4LIH8E
Record Status Validated (UNII)
Record Version