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Diminazene Aceturate

CAT: 0013-GTR19177302-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177302-02Size:100 mg
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Description
Diminazene Aceturate
CAS Number
908-54-3
Product Name Alternative
Parasite, inhibit, Inhibitor, DIZE, Diminazene, Diminazene Aceturate, Diminazene diaceturate, Angiotensin-converting Enzyme (ACE), QacR, SerineProtease, Serine Protease, Peroxiredoxin-5, Trypsin-1
Field of Research
Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Purity
96.86% (May vary between batches)
Solubility
H2O:92 mg/mL (178.46 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.94 mM) ; DMSO:1 mg/mL (1.94 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
C1 (ccc (cc1) /N=N/Nc1ccc (cc1) C (=N) N) C (=N) N.CC (=O) NCC (=O) O.CC (=O) NCC (=O) O
Molecular Formula
C22H29N9O6
Molecular Weight
515.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Berenil
CAS Number908-54-3
PubChem CID65060
IUPAC Name2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide
Molecular FormulaC18H22N8O3
Molecular Weight398.4
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity500
SMILES
CC(=O)NCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C14H15N7.C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2H2,1H3,(H,5,6)(H,7,8)
InChIKey
XJLITJHUQRBWPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Berenil
CAS: 908-54-3
CID: 65060
Formula: C18H22N8O3
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass398.18148659
Monoisotopic Mass398.18148659
Topological Polar Surface Area203 Ų
Heavy Atom Count29
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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