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SAG hydrochloride 1mg

CAT: 0628-A21678-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A21678-1Size:1 mg
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CAS Number
2095432-58-7

Chemical Information

SAG hydrochloride

SAG hydrochloride is an organic molecular entity. It has a role as a G-protein-coupled receptor agonist.

CAS Number2095432-58-7
PubChem CID121540649
IUPAC Name3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;hydrochloride
Molecular FormulaC28H29Cl2N3OS
Molecular Weight526.5
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity666
SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl
InChI
InChI=1S/C28H28ClN3OS.ClH/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20;/h2-8,13-17,22-23,30H,9-12,18H2,1H3;1H
InChIKey
CRWTYWYPPITOOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SAG hydrochloride
CAS: 2095432-58-7
CID: 121540649
Formula: C28H29Cl2N3OS
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass525.1408391
Monoisotopic Mass525.1408391
Topological Polar Surface Area73.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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