Products for Research Use Only
RegisterLogin

MDL-28133A

CAT: 0931-T70850-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T70850-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
136861-96-6
Target
Others
Related Pathways
Others
Bioactivity
MDL-28133A is a 5-HT2 receptor antagonist.
Smiles
Cl.CS(=O)(=O)Nc1ccc(cc1)C(=O)C1CCN(CC(=O)c2ccc(F)cc2)CC1
Molecular Formula
C21H24ClFN2O4S
Molecular Weight
454.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mdl 28133A
CAS Number136861-96-6
PubChem CID132001
IUPAC NameN-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;hydrochloride
Molecular FormulaC21H24ClFN2O4S
Molecular Weight454.9
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity669
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CC=C(C=C3)F.Cl
InChI
InChI=1S/C21H23FN2O4S.ClH/c1-29(27,28)23-19-8-4-16(5-9-19)21(26)17-10-12-24(13-11-17)14-20(25)15-2-6-18(22)7-3-15;/h2-9,17,23H,10-14H2,1H3;1H
InChIKey
YVIOSUWCZDHHEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdl 28133A
CAS: 136861-96-6
CID: 132001
Formula: C21H24ClFN2O4S
MW: 454.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass454.1129343
Monoisotopic Mass454.1129343
Topological Polar Surface Area91.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity669
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

Related Products

CatalogName
T71018-01MDL 100748
T70827-01MDL-102234
T70768-01MDL-74428
T69707-01MDL-801
T68177-01MDL-72394
T25783-01MDL 27399
T33264-01Mdl 28564
T25782-01MDL 27324
T2470-01MDL-28170
T22965-01MDL 72527

Alternative Products

CatalogName
GTR19208997-01MDL-28133A
B1038-50MDL-29951
B5471-50MDL 72527
HY-141426-01MDL-860
HY-112252MDL 73811
HY-105528MDL-25637
HY-105340MDL 27266
TQB47389-01(±) -MDL 105725
255767MDL 28170
255764-01MDL 100907

Popular Products