4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate | CAS No. 216699-36-4

4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate

Basic Information

CAS Number

216699-36-4

Molecular Formula

C37H33N3O7

Molecular Weight

631.7 g/mol

AD

Basic Physical Properties

Solubility

DMF: soluble

C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7

InChI

InChI=1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-37(45)22-9-10-23(36(43)44)26(19-22)31-27-17-20-5-1-13-38-15-3-7-24(32(20)38)34(27)46-35-25-8-4-16-39-14-2-6-21(33(25)39)18-28(31)35/h9-10,17-19H,1-8,11-16H2

InChIKey

KWADUASJUMATIK-UHFFFAOYSA-N

LogP

4.58390

Complexity

1490

Synonyms & References

English

  • 6-Carboxy-X-rhodamine sucinimidyl ester
  • 6-ROX, SE
  • 6-OX, SE
  • DTXSID701099130
  • 6-ROX, SE [6-Carboxy-X-rhodamine, sucinimidyl ester]
  • 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium, 9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-, inner salt
  • FT-0621016
  • 6-Carboxy-X-rhodamine N-succinimidyl ester, BioReagent, suitable for fluorescence
  • J-100085
  • 216699-36-4
  • 4-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
  • 6-Carboxy-X-rhodamineN-succinimidylester
  • ROX NHS ester, 6- isomer
  • BP-22533
  • MS-30863
  • 6-Carboxy-X-rhodamine N-succinimidyl ester
  • 6-Carboxy-X-rhodamine, succinimidyl ester
  • 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-,inner salt
  • 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium,9-[2-carboxy-5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]phenyl
  • 6-CARBOXY-X-RHODAMINE SUCCINIMIDYL ESTER
  • 6-Carboxy-X-rhodamine succinimidyl ester,6-ROX, SE
  • 6-ROX, SE [6-Carboxy-X-rhodamine, sucinimidyl ester]
  • 6-carboxy-X-rhodamine N-succinimidyl ester
  • 6-CXR SE
  • 6-ROX SE,6-CXR SE
  • ROX NHS ester

MDL Number

MFCD07437881

FAQ

What regulatory guidelines apply to 4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate (CAS: 216699-36-4)?

This compound falls under the scope of the REACH regulation in the European Union, requiring manufacturers and importers to register it if the annual tonnage exceeds one ton. Additionally, it may be subject to classification and labeling under the GHS system, which includes categories such as flammable solids and skin corrosion/irritation. In the U.S., the EPA and FDA may also require specific registration and handling guidelines due to its chemical structure and potential applications.

Are there alternatives to 4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate (CAS: 216699-36-4) in synthesis?

There are several alternatives that can be used in the synthesis of this compound. Commonly, 2,5-dioxopyrrolidine derivatives can be substituted with other functional groups, such as carboxylic acids or esters, to achieve similar structural features. Additionally, using different aromatic or heterocyclic scaffolds can offer alternative routes for synthesis while maintaining the desired biological or chemical properties.

What is the market or research trend for 4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate (CAS: 216699-36-4)?

Current research trends indicate a growing interest in this compound due to its potential as a bioactive molecule. It has shown promise in various applications, including anticancer and anti-inflammatory activities. Market trends suggest an increasing demand for compounds with complex structures and specific pharmacological properties, driving further research and development in this area.

How should waste containing 4-{[(2,5-Dioxo-1-pyrrolidinyl)oxy]carbonyl}-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzoate (CAS: 216699-36-4) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a secure location to prevent environmental contamination. Incineration is a common disposal method, but it should be conducted under controlled conditions to minimize the release of harmful compounds. Professional waste disposal services are recommended for handling this compound due to its complex structure and potential for environmental impact. Proper documentation and record-keeping are essential to comply with regulatory requirements.

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