Ewp 840
Basic information
- CAS
13104-02-4- Standard SMILES
OCCN1CCN(C(=S)SSC(=S)N2CCN(CCO)CC2)CC1- InChIKey
IKCDMZYMTQMERN-UHFFFAOYSA-N- Molecular formula
- C14H26N4O2S4
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 410.09386078
Overview
inhibits breakdown of inositol-1,4,5-triphosphate by inositol-1,4,5-triphosphate 5-phosphatase; structure given in first source
Names & identifiers
- Preferred name
- Ewp 840
- IUPAC
- [4-(2-hydroxyethyl)piperazine-1-carbothioyl]sulfanyl 4-(2-hydroxyethyl)piperazine-1-carbodithioate
- English name
- EWP 840
- Molecular formula
- C14H26N4O2S4
- Molecular weight
- 410.64
Names & synonyms
Ewp 84013104-02-4EWP-840DTXSID201568561-Piperazineethanol, 4,4'-(dithiodicarbonothioyl)bis-RefChem:139692DTXCID5079347Bis((4-(2-hydroxyethyl)-1-piperazinyl)thiocarbonyl)disulfideBRN 0847046[4-(2-hydroxyethyl)piperazine-1-carbothioyl]sulfanyl 4-(2-hydroxyethyl)piperazine-1-carbodithioateSCHEMBL9805901DISULFIDE, BIS((4-(2-HYDROXYETHYL)-1-PIPERAZINYL)THIOCARBONYL)
Show more names
1-Piperazineethanol, 4,4'-(dithiodicarbonothioyl)bis- (9CI)
Database identifiers
- CAS
13104-02-4- PubChem CID
- 25703
- DTXSID
DTXSID20156856- Nikkaji
- J648.102G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 150mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 150mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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