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Details

Stereochemistry ACHIRAL
Molecular Formula C20H33N7O3.ClH
Molecular Weight 455.982
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Stacofylline hydrochloride

SMILES

Cl.CCN(CC)C(=O)N1CCN(CCCC2=NC3=C(N2C)C(=O)N(C)C(=O)N3C)CC1

InChI

InChIKey=GVHZRDKDUVIRNY-UHFFFAOYSA-N
InChI=1S/C20H33N7O3.ClH/c1-6-26(7-2)20(30)27-13-11-25(12-14-27)10-8-9-15-21-17-16(22(15)3)18(28)24(5)19(29)23(17)4;/h6-14H2,1-5H3;1H

HIDE SMILES / InChI
Molecular Formula C20H33N7O3
Molecular Weight 419.5211
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

Description

Stacofylline is a xanthine derivative patented by ADIR for the treatment of migraine and asthenia.

Originator

Approval Year

Unknown
149124
Patents

Patents

EP149578
2
Substance Class Chemical
Created
by admin
on Wed Apr 02 19:56:37 GMT 2025
Edited
by admin
on Wed Apr 02 19:56:37 GMT 2025
Record UNII
757KH2L9HX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Stacofylline hydrochloride
Common Name English
S 9977-2
Preferred Name English
S-9977-2
Code English
1-Piperazinecarboxamide, N,N-diethyl-4-[3-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)propyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50160688
Created by admin on Wed Apr 02 19:56:37 GMT 2025 , Edited by admin on Wed Apr 02 19:56:37 GMT 2025
PRIMARY
FDA UNII
757KH2L9HX
Created by admin on Wed Apr 02 19:56:37 GMT 2025 , Edited by admin on Wed Apr 02 19:56:37 GMT 2025
PRIMARY
CAS
138472-18-1
Created by admin on Wed Apr 02 19:56:37 GMT 2025 , Edited by admin on Wed Apr 02 19:56:37 GMT 2025
PRIMARY
PUBCHEM
132156
Created by admin on Wed Apr 02 19:56:37 GMT 2025 , Edited by admin on Wed Apr 02 19:56:37 GMT 2025
PRIMARY
Related Record Type Details
Structure of Stacofylline
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of Stacofylline
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