Molecular Identity
Zafirlukast
cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
PubChem CID: 5717
Zafirlukast is a carbamate ester, a member of indoles and a N-sulfonylcarboxamide. It has a role as a leukotriene antagonist and an anti-asthmatic agent.
2D Structure
Properties
C31H33N3O6S
Molecular Formula
575.70
Molecular Weight
g/mol
575.2090
Exact Mass
Da
5.5
XLogP
Above Lipinski threshold
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OCIsomeric SMILES
SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)NC(=O)OC5CCCC5)C)OCSynonyms(20)
zafirlukast107753-78-6AccolateICI-204219ICI 204,219ICI 204219DTXSID5023746Cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamateXZ629S5L50ICI-204,2194-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamideDTXCID303746CHEBI:10100cyclopentyl 3-[2-methoxy-4-[(o-tolylsulfonyl)carbamoyl]benzyl]-1-methylindole-5-carbamatecyclopentyl N-{3-[(2-methoxy-4-{[(2-methylbenzene)sulfonyl]carbamoyl}phenyl)methyl]-1-methyl-1H-indol-5-yl}carbamate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Zafirlukast
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