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About This Item
Empirical Formula (Hill Notation):
C27H36O5S
CAS Number:
Molecular Weight:
472.64
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77
Quality Level
Assay
≥98% (HPLC)
form
oil
color
white
solubility
DMSO: >25 mg/mL
ethanol: >25 mg/mL
originator
Bayer
shipped in
dry ice
storage temp.
−70°C
SMILES string
CCCCC\C=C/C/C=C\C=C\C=C\[C@@H](Sc1ccc(cc1)C(O)=O)[C@@H](O)CCCC(O)=O
InChI
1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t24-,25+/m0/s1
InChI key
PKJINWOACFYDQN-RBVMPENBSA-N
Biochem/physiol Actions
Subtype-selective cysteinyl-leukotriene (Cys-Lt) antagonist.
Features and Benefits
This compound is featured on the Leukotriene Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.
This compound was developed by Bayer. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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