RP 46166
Basic information
- CAS
94342-73-1- Standard SMILES
C[N+]1([O-])CCN(C(=O)OC2C3=C(C(=O)N2c2ccc4ccc(Cl)nc4n2)S(=O)CCS3)CC1- InChIKey
GFCPXMGZCYONLV-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5O5S2
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.0594388
Overview
structure given in first source; an S-oxide of suriclone
Names & identifiers
- Preferred name
- RP 46166
- IUPAC
- [6-(7-chloro-1,8-naphthyridin-2-yl)-4,5-dioxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylate
Names & synonyms
RP 4616694342-73-1RP-46166RefChem:1800011-Piperazinecarboxylic acid, 4-methyl-, 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, S-oxide[6-(7-chloro-1,8-naphthyridin-2-yl)-4,5-dioxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxidopiperazin-4-ium-1-carboxylateDTXSID709156376-(7-Chloro-1,8-naphthyridin-2-yl)-1,7-dioxo-1,2,3,5,6,7-hexahydro-1lambda~4~-[1,4]dithiino[2,3-c]pyrrol-5-yl 1-methyl-1-oxo-1lambda~5~-piperazine-4-carboxylate6-(7-Chloro-1,8-naphthyridin-2-yl)-1,7-dioxo-1,2,3,5,6,7-hexahydro-1lambda~4~-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methyl-4-oxo-4lambda~5~-piperazine-1-carboxylate
Database identifiers
- CAS
94342-73-1- PubChem CID
- 3086397
- DTXSID
DTXSID70915637
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 883
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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