Basic information
- CAS
35556-06-0- Standard SMILES
C[NH+](C)CC(=O)c1ccc2sc3ccc(C(=O)C[NH+](C)C)cc3c2c1.[Cl-].[Cl-]- InChIKey
AHJVGWQHSLZPDW-UHFFFAOYSA-N- Molecular formula
- C20H24Cl2N2O2S
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 426.0935546
Names & identifiers
- Preferred name
- Rmi-11877DA
- IUPAC
- [2-[8-[2-(dimethylazaniumyl)acetyl]dibenzothiophen-2-yl]-2-oxoethyl]-dimethylazanium dichloride
- English name
- Tilorone analog R11-877Da
- Molecular formula
- C20H22N2O2S.2ClH.3H2O
- Molecular weight
- 481.438
Names & synonyms
A9PR5V1G3JRMI-11877DAPJP-72 DIHYDROCHLORIDERMI-11877 DIHYDROCHLORIDERefChem:1098144252-616-6Dibenzothiophene-2,8-diylbis((N-carbonylmethylene)dimethylamine) dihydrochloride trihydrate35556-06-0RMI 11877 DAEINECS 252-616-6UNII-A9PR5V1G3J1,1'-(2,8-Dibenzothiophenediyl)bis(2-(dimethylamino)ethanone) dihydrochloride trihydrate
Show more names
trihydratermi11877dae,trihydrateTilorone analog R11-877Da2,8-Bis(dimethylaminoacetyl)dibenzothiophene dihydrochloride trihydrate1,1’-(2,8-dibenzothiophenediyl)bis(2-(dimethylamino)-ethanondihydrochlorid1,1’-(2,8-dibenzothiophenediyl)bis(2-(dimethylamino)ethanone)dihydrochloride
Ethanone, 1,1'-(2,8-dibenzothiophenediyl)bis(2-(dimethylamino)-, dihydrochloride, trihydrateNS00123134
Database identifiers
- CAS
35556-06-0
Properties
Computed structural properties
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 340 °C · >340 °C
- FDA UNII
- 9 PR5V1G3J · A9PR5V1G3J
Chemistry & industry
Suppliers7 total
CHANGZHOU PHARMACEUTICAL FACTORY[email protected]
Matrix Pharmacorp Private Limited—
SIGMA—
MSN LIFE SCIENCES PRIVATE LTD[email protected]
SIGMAALDRICH—
OCEAN TRADING CORPORATION[email protected]
Changzhou Pharmaceutical Factory[email protected]
Additional notes
DefinitionA crystalline hydrated compound that contains three molecules of water of crystallization per molecule of compound.
Definitiontrihydrate: A crystalline hydratethat contains three moles of waterper mole of compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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