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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
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
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:32 UTC 2023
Edited
by admin
on Sat Dec 16 19:29:32 UTC 2023
Record UNII
9VZ8GB3CQ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Desmethyl almotriptan hydrochloride
Common Name English
Pyrrolidine, 1-[[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-, monohydrochloride
Systematic Name English
1H-Indole-3-ethanamine, N-methyl-5-[(1-pyrrolidinylsulfonyl)methyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
9VZ8GB3CQ7
Created by admin on Sat Dec 16 19:29:32 UTC 2023 , Edited by admin on Sat Dec 16 19:29:32 UTC 2023
PRIMARY
PUBCHEM
166451440
Created by admin on Sat Dec 16 19:29:32 UTC 2023 , Edited by admin on Sat Dec 16 19:29:32 UTC 2023
PRIMARY
CAS
154323-50-9
Created by admin on Sat Dec 16 19:29:32 UTC 2023 , Edited by admin on Sat Dec 16 19:29:32 UTC 2023
PRIMARY
Related Record Type Details
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