Products for Research Use Only
RegisterLogin

MRS1845

CAT: 0013-GTR19205362-02Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205362-02Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
MRS1845
CAS Number
544478-19-5
Product Name Alternative
MRS 1845, MRS1845, MRS-1845, CalciumChannel, Ca2+ channel, Calcium Channel, SOCE, Calcium Channel
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.69% (May vary between batches)
Solubility
H2O:< 0.1 mg/mL (insoluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (12.55 mM) ; DMSO:60 mg/mL (150.6 mM)
Smiles
CCOC (=O) C1=C (C) N (CC#C) C (C) =C (C1c1cccc (c1) [N+] ([O-]) =O) C (=O) OC
Molecular Formula
C21H22N2O6
Molecular Weight
398.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mrs 1845

Calcium channel blocker; N-propargyl-nitrendipine dihydropyridine

CAS Number544478-19-5
PubChem CID11538542
IUPAC Name5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate
Molecular FormulaC21H22N2O6
Molecular Weight398.4
XLogP3.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity798
SMILES
CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C
InChI
InChI=1S/C21H22N2O6/c1-6-11-22-13(3)17(20(24)28-5)19(18(14(22)4)21(25)29-7-2)15-9-8-10-16(12-15)23(26)27/h1,8-10,12,19H,7,11H2,2-5H3
InChIKey
BITHABUTZRAUGT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mrs 1845
CAS: 544478-19-5
CID: 11538542
Formula: C21H22N2O6
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass398.14778643
Monoisotopic Mass398.14778643
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19238784-01MRS4865
GTR19193455-01MRS1042
GTR19193456-01MRS1041
GTR19193453-01MRS1065
GTR19193445-01MRS1486
GTR19193444-01MRS1505
GTR19273518-01MRS8454
GTR19193451-01MRS1084

Alternative Products

CatalogName
MBS3843802-01MRS1845
A19346-10MRS1845 10mg
A19346-5MRS1845 5mg
A19346-100MRS1845 100mg
A19346-25MRS1845 25mg
A19346-1MRS1845 1mg
A19346-50MRS1845 50mg

Popular Products