chempirical

Brimonidine tartrate

C15H16BrN5O6CAS 70359-46-5442.23 g/mol

Open in Covalent MOL file
BrNHNHNNNOHOOHOHOOH
AlcoholAryl halideCarboxylic acidGuanidine

Properties

Molecular formula
C15H16BrN5O6
Molar mass
442.23 g/mol
Exact mass
441.0284 Da
Melting point
207.5 °C
logP
-0.36Crippen estimate
Polar surface area
177.3 Ų
H-bond donors / acceptors
6 / 9
Rotatable bonds
4
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
70359-46-5
SMILES
Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
QZHBYNSSDLTCRG-LREBCSMRSA-N
InChI
InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

Weigh it out

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

Names and synonyms

9 names
  • 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
  • AGN 190342LF
  • Brominide tartrate
  • Alphagan
  • Alphagan P
  • Brimonidine purite
  • Mirvaso
  • (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine L-tartrate

Work with Brimonidine tartrate

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

Brimonidine59803-98-475 % similar Varenicline tartrate375815-87-538 % similar Tizanidine51322-75-932 % similar 6-Amino-5-bromoquinoxaline50358-63-931 % similar Tizanidine hydrochloride64461-82-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook