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Brimonidine D-Tartrate

CAT: 1596-AR-B07675-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-B07675-01Size:10 Units
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CAS Number
1400635-36-0
Synonyms
5-bromo-N- (4,5-dihydro-1H-imidazol-2-yl) quinoxalin-6-amine, D-tartrate (1:1)
Molecular Formula
C11H10BrN5. C4H6O6
Molecular Weight
292.14 150.09
API Name
Brimonidine

Chemical Information

Brimonidine d-tartrate
CAS Number1400635-36-0
PubChem CID6917831
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioic acid
Molecular FormulaC15H16BrN5O6
Molecular Weight442.22
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity442
SMILES
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
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.0/s1
InChIKey
QZHBYNSSDLTCRG-WUUYCOTASA-N
Chemical Structure
2D Structure
2D structure of Brimonidine d-tartrate
CAS: 1400635-36-0
CID: 6917831
Formula: C15H16BrN5O6
MW: 442.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.22
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass441.02840
Monoisotopic Mass441.02840
Topological Polar Surface Area177 Ų
Heavy Atom Count27
Formal Charge0
Complexity442
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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