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Details

Stereochemistry ACHIRAL
Molecular Formula C26H54N10O2.2CH4O3S
Molecular Weight 730.984
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPEXIDINE MESYLATE

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CCCCCCNC(=O)NC(=N)NCCCN1CCN(CCCNC(=N)NC(=O)NCCCCCC)CC1

InChI

InChIKey=HJGIPYJGBURBGK-UHFFFAOYSA-N
InChI=1S/C26H54N10O2.2CH4O3S/c1-3-5-7-9-13-31-25(37)33-23(27)29-15-11-17-35-19-21-36(22-20-35)18-12-16-30-24(28)34-26(38)32-14-10-8-6-4-2;2*1-5(2,3)4/h3-22H2,1-2H3,(H4,27,29,31,33,37)(H4,28,30,32,34,38);2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH4O3S
Molecular Weight 96.106
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H54N10O2
Molecular Weight 538.7728
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:35:58 UTC 2023
Edited
by admin
on Fri Dec 15 15:35:58 UTC 2023
Record UNII
CI8CT0864P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPEXIDINE MESYLATE
USAN  
USAN  
Official Name English
CK-0569A
Code English
UREA, N,N''-(1,4-PIPERAZINEDIYLBIS(3,1-PROPANEDIYLIMINOCARBONIMIDOYL)BIS(N'-HEXYL-, DIMETHANESULFONATE
Systematic Name English
CK-0569 MESYLATE
Code English
IPEXIDINE MESILATE
Common Name English
CK-569A
Code English
1,1'-(1,4-PIPERAZINEDIYLBIS(TRIMETHYLENEIMINOIMIDOCARBONYL))BIS(3-HEXYLUREA) DIMETHANESULPHONATE
Systematic Name English
IPEXIDINE MESYLATE [USAN]
Common Name English
UREA, N,N''-(1,4-PIPERAZINEDIYLBIS(3,1-PROPANEDIYLIMINOCARBONIMIDOYL)BIS(N'-HEXYL-, DIMETHANESULPHONATE
Systematic Name English
1,1'-(1,4-PIPERAZINEDIYLBIS(TRIMETHYLENEIMINOIMIDOCARBONYL))BIS(3-HEXYLUREA) DIMETHANESULFONATE
Systematic Name English
Code System Code Type Description
CAS
69017-90-9
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
NCI_THESAURUS
C174656
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
FDA UNII
CI8CT0864P
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110866
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID80988771
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
PUBCHEM
50288
Created by admin on Fri Dec 15 15:35:58 UTC 2023 , Edited by admin on Fri Dec 15 15:35:58 UTC 2023
PRIMARY
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