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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H21N3O2S.C4H4O4
Molecular Weight 730.894
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE

SMILES

OC(=O)\C=C\C(O)=O.NCCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12.NCCC4=CNC5=CC=C(CS(=O)(=O)N6CCCC6)C=C45

InChI

InChIKey=GQOUKMAOUZYNHJ-WXXKFALUSA-N
InChI=1S/2C15H21N3O2S.C4H4O4/c2*16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-21(19,20)18-7-1-2-8-18;5-3(6)1-2-4(7)8/h2*3-4,9-10,17H,1-2,5-8,11,16H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI

Approval Year

Name Type Language
DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE
Common Name English
1H-INDOLE-3-ETHANAMINE, 5-((1-PYRROLIDINYLSULFONYL)METHYL)-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
2-(5-((PYRROLIDIN-1-YLSULFONYL)METHYL)-1H-INDOL-3-YL)ETHANAMINE HEMIFUMARATE
Systematic Name English
Code System Code Type Description
FDA UNII
Q7VGA8JXY4
Created by admin on Sat Dec 16 17:11:18 GMT 2023 , Edited by admin on Sat Dec 16 17:11:18 GMT 2023
PRIMARY
RS_ITEM_NUM
1013545
Created by admin on Sat Dec 16 17:11:18 GMT 2023 , Edited by admin on Sat Dec 16 17:11:18 GMT 2023
PRIMARY
PUBCHEM
68426052
Created by admin on Sat Dec 16 17:11:18 GMT 2023 , Edited by admin on Sat Dec 16 17:11:18 GMT 2023
PRIMARY
CAS
1246860-65-0
Created by admin on Sat Dec 16 17:11:18 GMT 2023 , Edited by admin on Sat Dec 16 17:11:18 GMT 2023
NON-SPECIFIC STOICHIOMETRY