Gboxin

CAT: 0127-BUP12568-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP12568-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2101315-36-8

Purity

=95%

Smiles

[Cl-].CCc1n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C

Chemical Information

Gboxin

CAS Number	2101315-36-8
PubChem CID	137628664
IUPAC Name	[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)acetate chloride
Molecular Formula	C22H33ClN2O2
Molecular Weight	393.0
Topological Polar Surface Area	35.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	481

SMILES

CCC1=[N+](C2=CC=CC=C2N1CC(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)C.[Cl-]

InChI

InChI=1S/C22H33N2O2.ClH/c1-6-21-23(5)18-9-7-8-10-19(18)24(21)14-22(25)26-20-13-16(4)11-12-17(20)15(2)3;/h7-10,15-17,20H,6,11-14H2,1-5H3;1H/q+1;/p-1/t16-,17+,20-;/m1./s1

InChIKey

UBWVTCCKVGOTBG-VYZBTARASA-M

Chemical Structure

2D Structure

CAS: 2101315-36-8

CID: 137628664

Formula: C22H33ClN2O2

MW: 393.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	393.0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	392.2230560
Monoisotopic Mass	392.2230560
Topological Polar Surface Area	35.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	481
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BG168557-01	Gboxin
T5335-01	S-Gboxin
A13034-50	Gboxin 50mg

Gboxin

Chemical Information

Alternative Products

Popular Products