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Zafirlukast Related Compound E

CAT: 1459-CS-T-46712Size: 1 EachDry Ice: NoHazardous: No
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Description
Zafirlukast Related Compound E is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Zafirlukast. The product is supplied by Clearsynth under CAT No. CS-T-46712. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1159195-70-6
Synonyms
Zafirlukast Related Compound E
Molecular Formula
C 31 H 33 N 3 O 6 S
Molecular Weight
575.7
Additionnal Information
Zafirlukast Related Compound E is supplied with detailed characterization data compliant with regulatory guideline. Zafirlukast Related Compound E can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Zafirlukast.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Zafirlukast p-Tolyl Isomer
CAS Number1159195-70-6
PubChem CID42633113
IUPAC Namecyclopentyl N-[3-[[2-methoxy-4-[(4-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
Complexity1000
SMILES
CC1=CC=C(C=C1)S(=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/c1-20-8-13-26(14-9-20)41(37,38)33-30(35)22-11-10-21(29(17-22)39-3)16-23-19-34(2)28-15-12-24(18-27(23)28)32-31(36)40-25-6-4-5-7-25/h8-15,17-19,25H,4-7,16H2,1-3H3,(H,32,36)(H,33,35)
InChIKey
HOOQJZTUMKGZMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zafirlukast p-Tolyl Isomer
CAS: 1159195-70-6
CID: 42633113
Formula: C31H33N3O6S
MW: 575.7
Interactive 3D Structure
Loading 3D structure...
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
Complexity1000
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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