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Details

Stereochemistry ACHIRAL
Molecular Formula C23H25N5O2.ClH
Molecular Weight 439.938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DONITRIPTAN HYDROCHLORIDE

SMILES

Cl.NCCC1=CNC2=C1C=C(OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N)C=C2

InChI

InChIKey=ZXENQGQAPOYDOJ-UHFFFAOYSA-N
InChI=1S/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H

HIDE SMILES / InChI

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

Molecular Formula C23H25N5O2
Molecular Weight 403.4769
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 10:45:44 UTC 2023
Edited
by admin
on Sat Dec 16 10:45:44 UTC 2023
Record UNII
XTD13T14MR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DONITRIPTAN HYDROCHLORIDE
Common Name English
PIPERAZINE, 1-(((3-(2-AMINOETHYL)-1H-INDOL-5-YL)OXY)ACETYL)-4-(4-CYANOPHENYL)-, MONOHYDROCHLORIDE
Systematic Name English
F-11356
Code English
BENZONITRILE, 4-(4-(2-((3-(2-AMINOETHYL)-1H-INDOL-5-YL)OXY)ACETYL)-1-PIPERAZINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
197705
Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023
PRIMARY
CAS
170911-68-9
Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023
PRIMARY
FDA UNII
XTD13T14MR
Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID60168973
Created by admin on Sat Dec 16 10:45:44 UTC 2023 , Edited by admin on Sat Dec 16 10:45:44 UTC 2023
PRIMARY
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