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Details

Stereochemistry ACHIRAL
Molecular Formula C16H23N3O2S.C2H2O4
Molecular Weight 411.473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Desmethyl almotriptan oxalic acid

SMILES

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

InChI

InChIKey=QVBVHDIQNGNXSR-UHFFFAOYSA-N
InChI=1S/C16H23N3O2S.C2H2O4/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;3-1(4)2(5)6/h4-5,10-11,17-18H,2-3,6-9,12H2,1H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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
K37SD9L24Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Desmethyl almotriptan oxalic acid
Common Name English
Pyrrolidine, 1-[[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-, ethanedioate (1:1)
Systematic Name English
1H-Indole-3-ethanamine, N-methyl-5-[(1-pyrrolidinylsulfonyl)methyl]-, ethanedioate (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
K37SD9L24Z
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
334981-35-0
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
90384505
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
PARENT -> SALT/SOLVATE