Basic information
- CAS
81235-33-8- Standard SMILES
CN(C)c1cc(NC(=O)CI)c2c(-c3ccccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1.[Cl-]- InChIKey
CSFWHPXNORHQTJ-UHFFFAOYSA-N- Molecular formula
- C26H25ClIN3O4
- Average molar mass
- 605.8 g/mol
- Monoisotopic mass
- 605.05783
Names & identifiers
- Preferred name
- Tmria
- IUPAC
- [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethylazanium chloride
Names & synonyms
TMRIA5'-Iatr6'-IatrIodoacetamidotetramethylrhodamineTetramethylrhodamine iodoacetamide81235-33-8Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(dimethylamino)-, mono((iodoacetyl)amino) deriv., chlorideSCHEMBL29944571[9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethylazanium;chloride
Database identifiers
- CAS
81235-33-8- PubChem CID
- 74997
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 963
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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