Basic information
- CAS
908-54-3- Standard SMILES
CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1- InChIKey
OKQSSSVVBOUMNZ-UHFFFAOYSA-N- Molecular formula
- C22H29N9O6
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 515.22407968
Overview
Diminazene diaceturate is an N-acetylglycinate salt resulting from the reaction of diminazene with 2 mol eq. of N-acetylglycine. It has a role as an antiparasitic agent and a trypanocidal drug. It contains a diminazene(2+).
Names & identifiers
- Preferred name
- Diminazene diaceturate
- IUPAC
- bis(2-acetamidoacetic acid);4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
- English name
- Diminazene aceturate
- Molecular formula
- C22H29N9O6
- Molecular weight
- 515.52
Names & synonyms
Diminazene diaceturateDiminazene (aceturate)Diminazene (diaceturate)MFCD000583864,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide bis(2-acetamidoacetate)4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzene-carboximidamide DiaceturateDIMINAZENEACETURATEC22H29N9O6DIZEDiminazene Aceturate(DIZE)CHEMBL380216orb1223683
Show more names
BERENILDIMINAZINE ACETURATECL218azidinganasegganasagazidineberonalDIMINAZINE
orb1309619orb3025642DTXSID4022945SCHEMBL11311441SCHEMBL29351299CHEBI:82615DIMINAZENE ACETURATE [MI]diminazene bis(N-acetylglycinate)
Database identifiers
- CAS
908-54-3- PubChem CID
- 5284544
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- powder
- color
- Orange to Dark Orange
- Water Solubility
- 100 mM · Soluble to 100 mM in water
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C14H15N7.2C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;2*1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2*2H2,1H3,(H,5,6)(H,7,8)
- InChIKey
- OKQSSSVVBOUMNZ-UHFFFAOYSA-N
- SMILES
- CC(=O)NCC(O)=O.CC(=O)NCC(O)=O.NC(=N)c1ccc(N\N=N\c2ccc(cc2)C(N)=N)cc1
- CAS DataBase Reference
- 908 · 908-54-3(CAS DataBase Reference)
- FDA UNII
- 8 SAD85NO · JI8SAD85NO
- UNSPSC Code
- 41116107 · 41116107
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- MB7605000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
DescriptionDiminazene is a diamidine that is cytotoxic to protozoa, including Trypanosoma, Babesia, and Cytauxzoon. Diamidines, including diminazene, affect a variety of enzymes and modulate interactions between nucleic acids and proteins. Diminazene inhibits diamine oxidase with a Ki value of 13 nM. In Trypanosoma, transport proteins are important in the effectiveness of diminazene. In rats and in vitro, diminazene enhances the enzymatic activity of angiotensin-converting enzyme 2.
Usesantiprotozoal as aceturate
UsesAn anti-protozoal and anti-trypanosomal compound
UsesDiminazene aceturate is an anti-protozoal drug. Diminazene Diaceturate is used as an anti-trypanosomal agent.
Upstream & downstream products
Upstream raw materials
Suppliers91 total
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…