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Details

Stereochemistry ACHIRAL
Molecular Formula C20H23N5S.ClH
Molecular Weight 401.956
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Timegadine hydrochloride

SMILES

Cl.CC1=NC2=C(C=CC=C2)C(N\C(NC3=NC=CS3)=N/C4CCCCC4)=C1

InChI

InChIKey=IWMWBGDREQGECL-UHFFFAOYSA-N
InChI=1S/C20H23N5S.ClH/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15;/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25);1H

HIDE SMILES / InChI

Molecular Formula C20H23N5S
Molecular Weight 365.495
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

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

Substance Class Chemical
Record UNII
98HR33CND7
Record Status Validated (UNII)
Record Version