Basic information
- CAS
108670-13-9- Standard SMILES
CCC(=O)c1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
ZESZXZILVOWSIY-SPIKMXEPSA-N- Molecular formula
- C31H37N3O9S
- Average molar mass
- 627.7 g/mol
- Monoisotopic mass
- 627.22505094
Names & identifiers
- Preferred name
- 1-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-, dimaleate
- IUPAC
- bis((Z)-but-2-enedioic acid);1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one
- English name
- 1-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl )-, dimaleate
- Molecular weight
- 0
Names & synonyms
108670-13-91-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-, dimaleateRefChem:10569231-(10-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone dimaleateDTXSID6013501951-Propanone, 1-(10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl )-, dimaleate(Z)-but-2-enedioic acid;1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one
Database identifiers
- CAS
108670-13-9- PubChem CID
- 6447985
- DTXSID
DTXSID601350195
Properties
Computed structural properties
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 641
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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