Basic information
- CAS
59878-27-2- Standard SMILES
O=C(OC1C2=C(SCCS2)C(=O)N1c1ccc2ccc(Cl)nc2n1)N1CCNCC1- InChIKey
SBBGVRDSHSVLOV-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5O3S2
- Average molar mass
- 464 g/mol
- Monoisotopic mass
- 463.05395912
Overview
metabolite of suriclone
Names & identifiers
- Preferred name
- RP 35489
- IUPAC
- [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] piperazine-1-carboxylate
Names & synonyms
RP 3548959878-27-2RP 35,489RP-35489RefChem:1799981-Piperazinecarboxylic acid, 6-(7-chloro-1,8-naphtharidin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl ester[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] piperazine-1-carboxylateSCHEMBL11486374DTXSID70975276SBBGVRDSHSVLOV-UHFFFAOYSA-N6-(7-Chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrol-5-yl piperazine-1-carboxylate6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-5-(piperazin-1-yl)carbonyloxy-2,3,6,7-tetrahydro-5H-1,4-dithiino[2,3-c]pyrrole
Database identifiers
- CAS
59878-27-2- PubChem CID
- 3085171
- DTXSID
DTXSID70975276
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 735
Related reactions
1 records
Compound notes
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