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Details

Stereochemistry ACHIRAL
Molecular Formula C16H23N3O2S.ClH
Molecular Weight 357.899
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Desmethyl almotriptan hydrochloride

SMILES

Cl.CNCCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

InChI

InChIKey=ZWKMRWOHCAPDCW-UHFFFAOYSA-N
InChI=1S/C16H23N3O2S.ClH/c1-17-7-6-14-11-18-16-5-4-13(10-15(14)16)12-22(20,21)19-8-2-3-9-19;/h4-5,10-11,17-18H,2-3,6-9,12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C16H23N3O2S
Molecular Weight 321.438
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

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
9VZ8GB3CQ7
Record Status Validated (UNII)
Record Version