Products for Research Use Only
RegisterLogin

Aprophit

CAT: 0013-GTR19208375-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19208375-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Aprophit is a selective muscarinic receptor antagonist that covalently binds to and acylates receptor proteins. This small molecule research tool is utilized in both in vitro and in vivo studies to investigate cholinergic signaling, receptor function, and related neurological pathways.
CAS Number
130746-91-7
Smiles
OC (=O) C (O) =O.CCN (CC) CCOC (=O) C (C) (c1ccccc1) c1ccc (cc1) N=C=S
Molecular Formula
C24H28N2O6S
Molecular Weight
472.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aprophit

structure given in first source

CAS Number130746-91-7
PubChem CID131260
IUPAC Name2-(diethylamino)ethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate;oxalate
Molecular FormulaC24H26N2O6S-2
Molecular Weight470.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge-2
Complexity563
SMILES
CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S.C(=O)(C(=O)[O-])[O-]
InChI
InChI=1S/C22H26N2O2S.C2H2O4/c1-4-24(5-2)15-16-26-21(25)22(3,18-9-7-6-8-10-18)19-11-13-20(14-12-19)23-17-27;3-1(4)2(5)6/h6-14H,4-5,15-16H2,1-3H3;(H,3,4)(H,5,6)/p-2
InChIKey
AGMGQDOWYGYXDR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Aprophit
CAS: 130746-91-7
CID: 131260
Formula: C24H26N2O6S-2
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass470.15115773
Monoisotopic Mass470.15115773
Topological Polar Surface Area154 Ų
Heavy Atom Count33
Formal Charge-2
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5813555Aprophit

Popular Products