Suproclone
Basic information
- CAS
76535-71-2- Standard SMILES
CCC(=O)N1CCN(C(=O)OC2C3=C(SCCS3)C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1- InChIKey
IBAUKGNDWVSETP-UHFFFAOYSA-N- Molecular formula
- C22H22ClN5O4S2
- Average molar mass
- 520 g/mol
- Monoisotopic mass
- 519.0801742
Names & identifiers
- Preferred name
- Suproclone
- IUPAC
- [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-propanoylpiperazine-1-carboxylate
- English name
- 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl 4-propionylpiperazine-1-carboxylate
- Molecular formula
- C22H22ClN5O4S2
- Molecular weight
- 520.02
Names & synonyms
SUPROCLONESuproclona76535-71-277590-92-2J4AM5D708G37 162 R.P.37-162-RP37 162 R.PSuproclonumSuproclone [USAN:INN]EINECS 278-486-0UNII-J4AM5D708G
Show more names
6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl 4-propionylpiperazine-1-carboxylate6-(7-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-C)pyrrol-5-yl 4-propionylpiperazine-1-carboxylate4-(1-Oxopropyl)-1-piperazinecarboxylic acid [6-(7-chloro-1,8-naphtyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol]-5-yl ester1-Piperazinecarboxylic acid, 4-(1-oxopropyl)-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino[2,3-c]pyrrol-5-yl ester
RP 37162SUPROCLONE [INN]Suproclone (USAN/INN)SUPROCLONE [USAN]SCHEMBL113028orb2815099CHEMBL2105531SCHEMBL29419877
Database identifiers
- CAS
76535-71-2、77590-92-2- PubChem CID
- 53696
- DTXSID
DTXSID00868445- ChEMBL
CHEMBL2105531- UNII
- J4AM5D708G
- EC Number
- 278-486-0
- Nikkaji
- J342.595I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 868
Physicochemical properties
- Boiling point
- 735.8 · 735.8±60.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.30(Predicted)
- FDA UNII
- 4 AM5D708G · J4AM5D708G
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…