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Zafirlukast 25mg

CAT: 0628-A11004-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11004-25Size:25 mg
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CAS Number
107753-78-6

Chemical Information

Zafirlukast

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.

CAS Number107753-78-6
PubChem CID5717
IUPAC Namecyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
Molecular FormulaC31H33N3O6S
Molecular Weight575.7
XLogP5.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity1010
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)OC
InChI
InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKey
YEEZWCHGZNKEEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zafirlukast
CAS: 107753-78-6
CID: 5717
Formula: C31H33N3O6S
MW: 575.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.7
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass575.20900695
Monoisotopic Mass575.20900695
Topological Polar Surface Area124 Ų
Heavy Atom Count41
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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