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Berenil

HCID 65060
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
15114-96-2
Standard SMILES
CC(=O)NCC(=O)O.N=C(N)c1ccc(N=NNc2ccc(C(=N)N)cc2)cc1
InChIKey
XJLITJHUQRBWPN-UHFFFAOYSA-N
Molecular formula
C18H22N8O3
Average molar mass
398.4 g/mol
Monoisotopic mass
398.18148659

Names & identifiers

Preferred name
Berenil
IUPAC
2-acetamidoacetic acid;4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

Names & synonyms

berenilBeronalGanasagAzidinDiminazenaceturateBevenil4,4'-(Diazoamino)dibenzamidine diaceturate4,4'-Diamidinodiazoaminobenzene diaceturate1,3-Bis(4-guanylphenyl)triazene diaceturate1,3-Bis(p-amidinophenyl)triazene bis(N-acetylglycinate)JI8SAD85NODi-(4-amidinophenyl)-triazine-(N-1,3)-diaceturate
Show more names
NSC-1148351,3-Bis[4-guanylphenyl]triazene diaceturate1,3-bis(4'-amidinophenyl)triazene N-acetylglycineRefChem:200624212-999-2908-54-3Diminazene AceturateGanaseg

Database identifiers

CAS
15114-96-2、908-54-3
PubChem CID
65060
ChEMBL
CHEMBL124025
UNII
M011GS5PF5
EC Number
212-999-2

Properties

Computed structural properties

Topological polar surface area
203 Ų
Hydrogen bond donors
7
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
500

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Substances that are destructive to protozoans.

Agents that are capable of inserting themselves between the successive bases in DNA, thus kinking, uncoiling or otherwise deforming it and therefore preventing its proper functioning. They are used in the study of DNA.

Agents destructive to the protozoal organisms belonging to the suborder TRYPANOSOMATINA.

Uses & manufacturing

Use Classification · 4 items

Veterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes

Veterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes

Veterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes

Veterinary Drug -> TRYPANOCIDE -> JECFA Functional Classes

Related reactions

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Compound notes

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