U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H26N2S.ClH
Molecular Weight 338.938
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANDAMINE HYDROCHLORIDE

SMILES

Cl.CCN1C2=C(C=CC=C2)C3=C1C(C)(CCN(C)C)SCC3

InChI

InChIKey=FJJSKKBQSGDHQK-UHFFFAOYSA-N
InChI=1S/C18H26N2S.ClH/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4;/h6-9H,5,10-13H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C18H26N2S
Molecular Weight 302.477
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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
7516K9UGUG
Record Status Validated (UNII)
Record Version