Pranlukast Hydrate
bis(N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide);hydrate
Molecular Identity
Pranlukast Hydrate
bis(N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide);hydrate
PubChem CID: 11979774
2D Structure
Properties
C54H48N10O9
Molecular Formula
981.00
Molecular Weight
g/mol
980.3606
Exact Mass
Da
239
TPSA
May have limited oral absorption
5
H-Bond Donors
15
H-Bond Acceptors
778
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.OIsomeric SMILES
SMILES: C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C5=NNN=N5.OSynonyms(20)
Pranlukast hemihydratepranlukast hydrate150821-03-7UNII-FR702N558KFR702N558KDTXSID9021180PRANLUKAST HYDRATE [JAN]PRANLUKAST HYDRATE [WHO-DD]Benzamide, N-(4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-4-(4-phenylbutoxy)-, hydrate (2:1)Benzamide, N-[4-oxo-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-(4-phenylbutoxy)-, hydrate (2:1)SC-215745BENZAMIDE, N-(4-OXO-2-(2H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-8-YL)-4-(4-PHENYLBUTOXY)-, HYDRATE (2:1)N-(4-OXO-2-(1H-TETRAZOL-5-YL)-4H-1-BENZOPYRAN-8-YL)-P-(4-PHENYLBUTOXY)BENZAMIDE, HEMIHYDRATEN-(4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl)-4-(4-phenylbutyloxy)benzamide hemihydrateN-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-(4-phenylbutyloxy)benzamide hemihydrate
Data from PubChem (NCBI)
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