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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18N2O
Molecular Weight 218.2948
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESEROLINE

SMILES

CN1CC[C@]2(C)[C@H]1N(C)C3=C2C=C(O)C=C3

InChI

InChIKey=HKGWQUVGHPDEBZ-OLZOCXBDSA-N
InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H18N2O
Molecular Weight 218.2948
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
300.0 nM [IC50]
0.22 µM [Ki]
Substance Class Chemical
Record UNII
Q22H41O18D
Record Status Validated (UNII)
Record Version