Brimonidine

C11H10BrN5CAS 59803-98-4292.14 g/mol

Open in Covalent MOL file
BrNHNHNNN
Aryl halideGuanidine

Properties

Molecular formula
C11H10BrN5
Molar mass
292.14 g/mol
Exact mass
291.0120 Da
Melting point
252 °C
logP
1.76Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
59803-98-4
SMILES
Brc1c(NC2=NCCN2)ccc2nccnc12
InChIKey
XYLJNLCSTIOKRM-UHFFFAOYSA-N
InChI
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-
  • 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine
  • UK 14304
  • 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline
  • UK 14304-18
  • Bromoxidine
  • AGN 190342
  • Lyuksfen

Work with Brimonidine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Brimonidine tartrate70359-46-5Salt

Similar compounds

6-Amino-5-bromoquinoxaline50358-63-940 % similar Tizanidine51322-75-940 % similar Tizanidine hydrochloride64461-82-138 % similar Clonidine4205-90-738 % similar Clonidine hydrochloride4205-91-835 % similar 4,5-Dihydro-N-[4-[[4-(1-methylethoxy)phenyl]methyl]phenyl]-1H-imidazol-2-amine221529-58-433 % similar Apraclonidine66711-21-532 % similar Bisantrene78186-34-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook