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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO2S2
Molecular Weight 375.548
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIAGABINE 4-METHYLTHIOPHENE ISOMER

SMILES

CC1=CSC(=C1)C(=CCCN2CCC[C@H](C2)C(O)=O)C3=CC(C)=CS3

InChI

InChIKey=OXZOKITXBCIECG-MRXNPFEDSA-N
InChI=1S/C20H25NO2S2/c1-14-9-18(24-12-14)17(19-10-15(2)13-25-19)6-4-8-21-7-3-5-16(11-21)20(22)23/h6,9-10,12-13,16H,3-5,7-8,11H2,1-2H3,(H,22,23)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H25NO2S2
Molecular Weight 375.548
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

Substance Class Chemical
Record UNII
VW82A7Z6XK
Record Status Validated (UNII)
Record Version