chempirical

Berenil

C18H22N8O3CAS 908-54-3398.43 g/mol

Open in Covalent MOL file
ONHOOHHNH2NNNNHHNNH2
AmidineCarboxylic acidSecondary amine

Properties

Molecular formula
C18H22N8O3
Molar mass
398.43 g/mol
Exact mass
398.1815 Da
Melting point
202 °C
logP
2.41Crippen estimate
Polar surface area
206.4 Ų
H-bond donors / acceptors
7 / 6
Rotatable bonds
7

Identifiers

CAS number
908-54-3
SMILES
CC(O)=NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1
InChIKey
XJLITJHUQRBWPN-UHFFFAOYSA-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)

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Names and synonyms

27 names · show all
  • Glycine, N-acetyl-, compd. with 4,4′-(1-triazene-1,3-diyl)bis[benzenecarboximidamide] (2:1)
  • Glycine, N-acetyl-, compd. with 4,4′-(diazoamino)dibenzamidine (2:1)
  • Glycine, N-acetyl-, compd. with 4,4′-(azoamino)dibenzamidine
  • Benzamidine, 4,4′-diazoaminodi-, diaceturate
  • Benzamidine, 4,4′-(diazoamino)di-, compd. with N-acetylglycine (1:2)
  • Benzenecarboximidamide, 4,4′-(1-triazene-1,3-diyl)bis-, compd. with N-acetylglycine (1:2)
  • Azidin
  • Azidine
  • Di-(4-amidinophenyl)-triazine-(N-1,3)-diaceturate
  • Diminazene diaceturate
  • Diminazene aceturate
  • Diminazine aceturate
  • 4,4′-Diamidinodiazoaminobenzene diaceturate
  • 4,4′-(Diazoamino)dibenzamidine diaceturate
  • 1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate)
  • 1,3-Bis[4-guanylphenyl]triazene diaceturate
  • p,p′-Diguanyldiazoaminobenzene diaceturate
  • Ganasag
  • Ganaseg
  • Beronal
  • Diaminazene aceturate
  • Veriben
  • Diminazine diaceturate
  • Diminasan
  • Fatrybanil
  • Tricip plus
  • Neozidin-M

Work with Berenil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diminazene536-71-060 % similar Actarit18699-02-035 % similar N-(4-Acetylphenyl)acetamide2719-21-332 % similar Acedoben556-08-132 % similar Tacedinaline112522-64-232 % similar Acetyl-β-alanine3025-95-431 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-131 % similar p-Hydroxybenzamidine monohydrochloride38148-63-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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