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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO2.ClH
Molecular Weight 291.773
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKF-38393 HYDROCHLORIDE, (R)-

SMILES

Cl.OC1=CC2=C(C=C1O)[C@H](CNCC2)C3=CC=CC=C3

InChI

InChIKey=YEWHJCLOUYPAOH-PFEQFJNWSA-N
InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C16H17NO2
Molecular Weight 255.3117
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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
130.0 nM [EC50]
100.0 nM [Ki]
Substance Class Chemical
Record UNII
259QB42AEB
Record Status Validated (UNII)
Record Version