Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1)
Basic information
- CAS
63610-07-1- Standard SMILES
CCNc1cc2oc3cc(=[NH+]CC)c(C)cc-3c(-c3ccccc3C(=O)OCCO)c2cc1C.[Cl-]- InChIKey
UTKMZFWGYHJHHB-UHFFFAOYSA-N- Molecular formula
- C28H31ClN2O4
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.1972352
Names & identifiers
- Preferred name
- Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1)
- IUPAC
- ethyl-[6-(ethylamino)-9-[2-(2-hydroxyethoxycarbonyl)phenyl]-2,7-dimethylxanthen-3-ylidene]azanium chloride
Names & synonyms
63610-07-1Xanthylium, 3,6-bis(ethylamino)-9-(2-((2-hydroxyethoxy)carbonyl)phenyl)-2,7-dimethyl-, chlorideDTXSID70886631Xanthylium, 3,6-bis(ethylamino)-9-(2-((2-hydroxyethoxy)carbonyl)phenyl)-2,7-dimethyl-, chloride (1:1)Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chlorideXanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1)RefChem:902284DTXCID701025955BHFJTBHQGWUBBN-UHFFFAOYSA-M3,6-Bis(ethylamino)-9-{2-[(2-hydroxyethoxy)carbonyl]phenyl}-2,7-dimethylxanthen-10-ium chloride
Database identifiers
- CAS
63610-07-1- PubChem CID
- 65228
- DTXSID
DTXSID70886631
Properties
Computed structural properties
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 841
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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