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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO3
Molecular Weight 271.3111
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-68930

SMILES

NC[C@@H]1O[C@@H](CC2=C(O)C(O)=CC=C12)C3=CC=CC=C3

InChI

InChIKey=SUHGRZPINGKYNV-GJZGRUSLSA-N
InChI=1S/C16H17NO3/c17-9-15-11-6-7-13(18)16(19)12(11)8-14(20-15)10-4-2-1-3-5-10/h1-7,14-15,18-19H,8-9,17H2/t14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17NO3
Molecular Weight 271.3111
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.75 nM [EC50]

PubMed

Patents

Substance Class Chemical
Record UNII
B4NI77O5D4
Record Status Validated (UNII)
Record Version