1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)
Basic information
- CAS
72208-22-1- Standard SMILES
Cc1ccc2nc(-c3ccc4nc(C5C(=O)c6ccc(C(=O)O)cc6C5=O)ccc4c3)sc2c1S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO- InChIKey
ULIGGCRKSUJONN-UHFFFAOYSA-N- Molecular formula
- C39H46N4O13S2
- Average molar mass
- 842.9 g/mol
- Monoisotopic mass
- 842.25027988
Names & identifiers
- Preferred name
- 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2)
- IUPAC
- bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[6-(6-methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylic acid
Names & synonyms
EINECS 276-472-972208-22-1DTXSID60888109RefChem:79861DTXCID1010273912,3-Dihydro-2-(6-(6-methyl-7-sulphobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylic acid, compound with 2,2',2''-nitrilotriethanol (1:2)2-[6-(6-Methyl-7-sulfo-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/2)
Database identifiers
- CAS
72208-22-1- PubChem CID
- 174971
- DTXSID
DTXSID60888109- EC Number
- 276-472-9
Properties
Computed structural properties
- Topological polar surface area
- 316 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 16
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,150
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, compd. with 2,2',2''-nitrilotris[ethanol] (1:2): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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