9-(2-Carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium
Basic information
- CAS
25152-49-2- Standard SMILES
CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)O)c-2cc1C- InChIKey
ZTKQHJHANLVEBM-UHFFFAOYSA-N- Molecular formula
- C26H26N2O3
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.1943427
Overview
See also: Rhodamine 19 (annotation moved to).
Names & identifiers
- Preferred name
- 9-(2-Carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium
- IUPAC
- 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid
- English name
- Rhodamine 19
- Molecular formula
- C26H26N2O3
- Molecular weight
- 414.5
Names & synonyms
Rhodamine 1925152-49-2Yellow IIRhodamine 5759-(2-Carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid2-(3,6-Bis(ethylamino)-2,7-dimethylxanthylium-9-yl)benzoateMFCD02684062Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt9-(2-carboxyphenyl)-2,7-dimethyl-3,6-bis(ethylamino)xanthylium2-[3,6-Bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoateZTKQHJHANLVEBM-UHFFFAOYSA-N
Show more names
Exciton Rhodamine 575Rhodamine 19 zwitterionRhodamin 575, laser gradeN,N''-DIETHYL-2,7-DIMETHYLRHODAMINE9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoicaci
Rhodamine 19; Rhodamine 19 Zwitterion; Rhodamine 575; o-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]-benzoic Acid; 9-(2-Carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium Inner Salt;EINECS 246-666-8SCHEMBL1095520SCHEMBL3626595SCHEMBL9915064DTXSID70865183WMRJZJXMLCVXPN-UHFFFAOYSA-NDTXSID601014846
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 838
Physicochemical properties
- Melting point
- 297 · 297-299 °C
- solubility
- soluble in Hot Methanol
- form
- powder to crystal
- pka
- 3.67 · 3.670±0.36(predicted)
- color
- Orange to Brown to Dark red
- EPA Substance Registry System
- 9 · Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, inner salt (25152-49-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- TSCA
- TSCA listed
- HS Code
- 3204.9 · 3204.90.0000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 3204.90.0000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses9-(2-Carboxyphenyl)-2,7-dimethyl-3,6-bis(ethylamino)xanthylium is an intermediate in the synthesis of SkQR1 (S555050), a mitochondria-targeted plastoquinone antioxidant that exhibits neuroprotective effect. Potent Mitochondrial Targeted antioxidant protecting against the anti-cancer treatment related to oxidative stress (1). Depicted positive effects on rat memory. (2)SkQRl is the substrate of multidrug resistance pump P-glycoproten (Pgp 170) and selectively protects Pgp 170-negative cells against oxidative stress (3)
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Compound notes
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