DS 4574
Basic information
- CAS
118314-35-5- Standard SMILES
O=c1c2n[nH]nc2nc2sc(CCC3CCCCC3)nn12- InChIKey
ASIFEXZWAKYMRM-UHFFFAOYSA-N- Molecular formula
- C13H16N6OS
- Average molar mass
- 304.37 g/mol
- Monoisotopic mass
- 304.11063033
Overview
peptidoleukotriene receptor antagonist used in treatment of hypersensitivity; RN from Chemline for pyrimidin-9(1H)-one cpd
Names & identifiers
- Preferred name
- DS 4574
- IUPAC
- 11-(2-cyclohexylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
- English name
- DS 4574
- Molecular weight
- 0
Names & synonyms
118314-35-5DS-4574DS 4574SMG98U3WNRDTXSID80152096RefChem:135858DTXCID70745876-(2-Cyclohexylethyl)-(1,3,4)thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one6-(2-Cyclohexylethyl)-[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one6-(2-cyclohexylethyl)[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(2h)-oneSCHEMBL156066orb1738170
Show more names
6-(2-Cyclohexylethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(1H)-one6-(2-Cyclohexylethyl)[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(1H)-one
(1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-cyclohexylethyl)-L002208[1,3,4]Thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one, 6-(2-cyclohexylethyl)-11-(2-cyclohexylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one6-(2-cyclohexylethyl)-(1,3,4)thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(3H)-one6-(2-Cyclohexylethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one
Database identifiers
- CAS
118314-35-5- PubChem CID
- 159491
- DTXSID
DTXSID80152096- UNII
- SMG98U3WNR
- Nikkaji
- J435.130D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 501
Chemistry & industry
Applications
DescriptionDS 4574 is a peptidoleukotriene receptor antagonist used in treatment of hypersensitivity.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…