Benzamide,N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-, hydrate (2:1)


Chemical Name: Benzamide,N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-, hydrate (2:1)
CAS Number: 150821-03-7
Product Number: AG001MVQ(AGN-PC-0Q5A01)
Synonyms:
MDL No:
Molecular Formula: C54H48N10O9
Molecular Weight: 981.0205

Identification/Properties


Computed Properties
Molecular Weight:
981.039g/mol
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
15
Rotatable Bond Count:
18
Exact Mass:
980.361g/mol
Monoisotopic Mass:
980.361g/mol
Topological Polar Surface Area:
239A^2
Heavy Atom Count:
73
Formal Charge:
0
Complexity:
778
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Pranlukast hemihydrate, commonly used in chemical synthesis, plays a vital role in pharmaceutical research and development. This compound, with its unique molecular structure, demonstrates significant potential in the creation of various pharmaceutical intermediates and active ingredients. Pranlukast hemihydrate is particularly valuable in the synthesis of anti-inflammatory agents and drugs targeting asthma and allergic disorders. Its application in chemical synthesis contributes to the advancement of medicinal chemistry, paving the way for the development of innovative therapeutic solutions for respiratory and immune system-related ailments.