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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17NO4
Molecular Weight 215.2463
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROKAINIC ACID

SMILES

CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O

InChI

InChIKey=JQPDCKOQOOQUSC-OOZYFLPDSA-N
InChI=1S/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H17NO4
Molecular Weight 215.2463
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.0 µM [Ki]
23.0 µM [Ki]
Substance Class Chemical
Record UNII
MQ4LMC2HN5
Record Status Validated (UNII)
Record Version