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BMS 182874 hydrochloride

CAT: 1410-M23383-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M23383-01Size:2 mg
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Description
BMS 182874 hydrochloride is a nonpeptide endothelin (El) receptor antagonist.
CAS Number
1215703-04-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
381.88
Molecular Formula
C17H20ClN3O3S
Notes
Research use only, not for human use.
Receptor
ET-A

Chemical Information

Bms 182874 hydrochloride
CAS Number1215703-04-0
PubChem CID56972163
IUPAC Name5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide;hydrochloride
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity534
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.Cl
InChI
InChI=1S/C17H19N3O3S.ClH/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4;/h5-10,19H,1-4H3;1H
InChIKey
UZZFRNZGYDOBAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms 182874 hydrochloride
CAS: 1215703-04-0
CID: 56972163
Formula: C17H20ClN3O3S
MW: 381.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass381.0913904
Monoisotopic Mass381.0913904
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity534
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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