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DS 4574

CAT: 0931-T71310-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T71310-03Size:100 mg
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CAS Number
118314-35-5
Target
Others
Related Pathways
Others
Bioactivity
DS 4574 is a peptidoleukotriene receptor antagonist used in treatment of hypersensitivity.
Smiles
O=C1N2C(=NC3=C1NN=N3)SC(CCC4CCCCC4)=N2
Molecular Formula
C13H16N6OS
Molecular Weight
304.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DS 4574

peptidoleukotriene receptor antagonist used in treatment of hypersensitivity; RN from Chemline for pyrimidin-9(1H)-one cpd

CAS Number118314-35-5
PubChem CID159491
IUPAC Name11-(2-cyclohexylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
Molecular FormulaC13H16N6OS
Molecular Weight304.37
XLogP3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity501
SMILES
C1CCC(CC1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2
InChI
InChI=1S/C13H16N6OS/c20-12-10-11(16-18-15-10)14-13-19(12)17-9(21-13)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,15,16,18)
InChIKey
ASIFEXZWAKYMRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DS 4574
CAS: 118314-35-5
CID: 159491
Formula: C13H16N6OS
MW: 304.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.37
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass304.11063033
Monoisotopic Mass304.11063033
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity501
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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Alternative Products

CatalogName
HY-19075DS 4574

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