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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H9NO6
Molecular Weight 239.1816
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DCPG, (S)-

SMILES

N[C@H](C(O)=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O

InChI

InChIKey=IJVMOGKBEVRBPP-ZETCQYMHSA-N
InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H9NO6
Molecular Weight 239.1816
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
31.0 nM [EC50]
Substance Class Chemical
Record UNII
W3Y53JA9W3
Record Status Validated (UNII)
Record Version