Products for Research Use Only

Mepenzolate Bromide

CAT: 0607-A8467-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A8467-5.1Size:10 mM (in 1mL DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
mAChR antagonist
CAS Number
76-90-4
Product Name Alternative
3-(2-hydroxy-2,2-diphenylacetoxy)-1,1-dimethylpiperidin-1-ium bromide
Field of Research
Others
Purity
0.98
Form
A solid
Solubility
≥10.02 mg/mL in EtOH with ultrasonic; ≥20.65 mg/mL in DMSO; ≥6.59 mg/mL in H2O with ultrasonic
Smiles
OC(C1=CC=CC=C1)(C(OC2CCC[N+](C)(C)C2)=O)C3=CC=CC=C3.[Br-]
Molecular Formula
C21H26BrNO3
Molecular Weight
420.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Mepenzolate Bromide

Mepenzolate bromide is a diarylmethane.

CAS Number76-90-4
PubChem CID6461
IUPAC Name(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Molecular FormulaC21H26BrNO3
Molecular Weight420.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity432
SMILES
C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1
InChIKey
JRRNZNSGDSFFIR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Mepenzolate Bromide
CAS: 76-90-4
CID: 6461
Formula: C21H26BrNO3
MW: 420.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.10961
Monoisotopic Mass419.10961
Topological Polar Surface Area46.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity432
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