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Details

Stereochemistry ACHIRAL
Molecular Formula C15H21N3O2S
Molecular Weight 307.411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDESMETHYL ALMOTRIPTAN

SMILES

NCCC1=CNC2=CC=C(CS(=O)(=O)N3CCCC3)C=C12

InChI

InChIKey=XLDLLAFWGVDYHM-UHFFFAOYSA-N
InChI=1S/C15H21N3O2S/c16-6-5-13-10-17-15-4-3-12(9-14(13)15)11-21(19,20)18-7-1-2-8-18/h3-4,9-10,17H,1-2,5-8,11,16H2

HIDE SMILES / InChI
Molecular Formula C15H21N3O2S
Molecular Weight 307.411
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:48:57 UTC 2023
Edited
by admin
on Sat Dec 16 10:48:57 UTC 2023
Record UNII
JLA8PUR9UZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIDESMETHYL ALMOTRIPTAN
Common Name English
ALMOTRIPTAN RELATED COMPOUND B [USP IMPURITY]
Common Name English
1H-INDOLE-3-ETHANAMINE, 5-((1-PYRROLIDINYLSULFONYL)METHYL)-
Systematic Name English
ALMOTRIPTAN MALATE IMPURITY D [EP IMPURITY]
Common Name English
3-(2-AMINOETHYL)-5-(1-PYRROLIDINYLSULFONYLMETHYL)-1H-INDOLE
Common Name English
PYRROLIDINE, 1-(((3-(2-AMINOETHYL)-1H-INDOL-5-YL)METHYL)SULFONYL)-
Common Name English
2-(5-((PYRROLIDINE-1-SULFONYL)METHYL)-1H-INDOL-3-YL)ETHAN-1-AMINE
Systematic Name English
1-((3-(2-AMINOETHYL)-5-INDOLYL)METHANESULFONYL)PYRROLIDINE
Common Name English
5-((1-PYRROLIDINYLSULFONYL)METHYL)-1H-INDOLE-3-ETHANAMINE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10458497
Created by admin on Sat Dec 16 10:48:58 UTC 2023 , Edited by admin on Sat Dec 16 10:48:58 UTC 2023
PRIMARY
FDA UNII
JLA8PUR9UZ
Created by admin on Sat Dec 16 10:48:58 UTC 2023 , Edited by admin on Sat Dec 16 10:48:58 UTC 2023
PRIMARY
PUBCHEM
11197569
Created by admin on Sat Dec 16 10:48:58 UTC 2023 , Edited by admin on Sat Dec 16 10:48:58 UTC 2023
PRIMARY
CAS
181178-24-5
Created by admin on Sat Dec 16 10:48:58 UTC 2023 , Edited by admin on Sat Dec 16 10:48:58 UTC 2023
PRIMARY
Related Record Type Details
Structure of DIDESMETHYL ALMOTRIPTAN HEMIFUMARATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of ALMOTRIPTAN MALATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ALMOTRIPTAN MALATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
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