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Tipelukast structure, CAS 125961-82-2

Tipelukast

CAS Number125961-82-2

SynonymsMN-001; Butanoic acid,4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy]; Tipelukast [USAN:INN]; KCA 757; Tipelukast (USAN); 4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid; Tipelukast; 4-(6-Acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid

Molecular FormulaC29H38O7S

Molecular Weight530.67

Purity≥98 (HPLC)%

Density1.2±0.1 g/cm3

Boiling Point735.3±60.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9051705 Purity: ≥98 (HPLC)%
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Quality Control of [ 125961-82-2 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number125961-82-2
Catalog No.2A-9051705
Chinese NameTipelukast
SynonymsMN-001; Butanoic acid,4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy]; Tipelukast [USAN:INN]; KCA 757; Tipelukast (USAN); 4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid; Tipelukast; 4-(6-Acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid
Molecular FormulaC29H38O7S
Molecular Weight530.67
Purity≥98 (HPLC)
Density1.2±0.1 g/cm3
Boiling Point735.3±60.0 °C at 760 mmHg
Appearancepowder
ApplicationTipelukast (KCA 757) is a leukotriene receptor antagonist and an orally available anti-inflammatory agent that can also be used for the treatment of asthma.
MDL NumberMFCD00886138
SMILESCCCC1=C(SCCCOC2=C(CCC)C(OCCCC(O)=O)=C(C(C)=O)C=C2)C=CC(C(C)=O)=C1O
InChI1S/C29H38O7S/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)
InChI KeyKPWYNAGOBXLMSE-UHFFFAOYSA-N
NACRES CodeNA.77
UNSPSC51111800
MSDSmsds/51705_1_125961_82_2.pdf
Transport InfoProduct name: Tipelukast
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