4,5-Didehydro Brimonidine

CAT: 0024-sc-504265Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504265Size:250 mg

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CAS Number

151110-15-5

Chemical Information

4,5-Didehydro brimonidine

CAS Number	151110-15-5
PubChem CID	10214826
IUPAC Name	5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine
Molecular Formula	C11H8BrN5
Molecular Weight	290.12
XLogP	1.9
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

C1=CC2=NC=CN=C2C(=C1NC3=NC=CN3)Br

InChI

InChI=1S/C11H8BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-6H,(H2,15,16,17)

InChIKey

FJXZFBTUCZEINA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 151110-15-5

CID: 10214826

Formula: C11H8BrN5

MW: 290.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.12
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	288.99631
Monoisotopic Mass	288.99631
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-211138	Cotinine N- (4-Deoxy-4,5-didehydro) -β-D-glucuronide
sc-211138A	Cotinine N- (4-Deoxy-4,5-didehydro) -β-D-glucuronide
sc-219364	Nicotine-N- (4-deoxy-4,5-didehydro) -β-D-glucuronide
sc-211138B	Cotinine N- (4-Deoxy-4,5-didehydro) -β-D-glucuronide
sc-475879	4-Trifluoromethylumbelliferyl (4′-Deoxy-4′,5′-didehydro) -β-D-glucuronide Methyl Ester
sc-217788	Brimonidine Tartrate
sc-219365	Nicotine-N- (4-deoxy-4,5-didehydro) -β-D-glucuronide, Methyl-d3
sc-505870	11-cis-3,4-Didehydro Retinal
sc-220309	Trans-3'-Hydroxy Cotinine-O- (4-deoxy-4,5-didehydro) -β-D-glucuronide
sc-482129	Brimonidine D-tartrate

Catalog	Name
BGA11015	4,5-Didehydro brimonidine
TRC-D677530-1G	Des-bromo 4,5-Didehydro Brimonidine
TRC-D687170-5G	Des-(1H-imidazol-2-yl) 3-(2,2-Diethoxyethyl)guanidine 4,5-Didehydro Brimonidine
TRC-U700570-10MG	5-Desbromo, 5-Chloro Brimonidine
TRC-I824230-25MG	O-Isopropyl (5-Bromoquinoxalin-6-yl)carbamothioate(Brimonidine Impurity)
461281-01	O-Ethyl (5-Bromoquinoxalin-6-yl) carbamothioate (Brimonidine Impurity)
TRC-E900560-1G	O-Ethyl (5-Bromoquinoxalin-6-yl)carbamothioate (Brimonidine Impurity)
461300	O-Isopropyl (5-Bromoquinoxalin-6-yl) carbamothioate (Brimonidine Impurity)
B2755	Brimonidine L-Tartrate (5-Bromo-N- (4,5-dihydro-1H-imidazol-2-yl) -6-quinoxalinamine L-Tartrate; 5-Bromo-6- (2-imidazolin-2-ylamino) quinoxaline; UK-14304-18; AGN-190342-LF; Alphagan)
MBS6057017-01	Brimonidine L-Tartrate (5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine L-Tartrate; 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline; UK-14304-18; AGN-190342-LF; Alphagan)