Brimonidine tartrate

C₁₅H₁₆BrN₅O₆CAS 70359-46-5442.23 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Carboxylic acid Guanidine

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 Å²
H-bond donors / acceptors: 6 / 9
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed80% of notifiers
H302 Harmful if swallowed13.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction13.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H331 Toxic if inhaled13.3% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H371 May cause damage to organs13.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers

Aggregated from 15 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

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

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Brimonidine59803-98-4Free base Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt

Similar compounds

Tizanidine51322-75-932 % similar 6-Amino-5-bromoquinoxaline50358-63-931 % similar Tizanidine hydrochloride64461-82-131 % similar (2R,3R)-Tartranilic acid3019-58-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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