| Pubchem Sid | 488198750 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488198750 |
| Canonical Smiles | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[Cl-] |
| IUPAC Name | 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)benzoic acid;chloride |
| InChIKey | ANORACDFPHMJSX-UHFFFAOYSA-N |
| INCHI | 1S/C32H30N2O3.ClH/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;/h1-2,9-10,17-18H,3-8,11-16H2;1H |
| Isomeric SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=CC=CC=C8C(=O)O)CCC7.[Cl-] |
| Alternate CAS | 116450-56-7 |
| PubChem CID | 14844402 |
| Molecular Weight | 527.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans |
| Direct Parent | Xanthenes |
| Alternative Parents | Diarylethers Hydroquinolines Benzoic acids Dialkylarylamines Benzoyl derivatives Aralkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Diaryl ether - Tetrahydroquinoline - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic chloride salt - Organonitrogen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2304236 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304238 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304239 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304240 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304241 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304242 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304244 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| D2304246 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| H2507084 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| K2514073 | Certificate of Analysis | Mar 18, 2023 | R294257 |
| Solubility | Ethanol: 14.29 mg/mL (27.11 mM), Need ultrasonic H2O: 2 mg/mL (3.79 mM), Need ultrasonic ( < 1 mg/ml refers to the product slightly soluble or insoluble ) |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 527.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 526.202 Da |
| Monoisotopic Mass | 526.202 Da |
| Topological Polar Surface Area | 52.800 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1080.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Jiayang He, Shihua Luo, Huilin Deng, Chunli Yang, Yuqing Zhang, Mengdie Li, Ruo Yuan, Wenju Xu. (2023) Fluorescent Features and Applicable Biosensing of a Core–Shell Ag Nanocluster Shielded by a DNA Tetrahedral Nanocage. ANALYTICAL CHEMISTRY, [PMID:37738392] [10.1021/acs.analchem.3c03151] |
| 2. Jia-Yang He, Xin Shang, Chun-Li Yang, Si-Yu Zuo, Ruo Yuan, Wen-Ju Xu. (2021) Antibody-Responsive Ratiometric Fluorescence Biosensing of Biemissive Silver Nanoclusters Wrapped in Switchable DNA Tweezers. ANALYTICAL CHEMISTRY, [PMID:34378382] [10.1021/acs.analchem.1c02444] |
| 3. Shen Wang, Ucheor B Choi, Jihong Gong, Xiaoyu Yang, Yun Li, Austin L Wang, Xiaofei Yang, Axel T Brunger, Cong Ma. (2017) Conformational change of syntaxin linker region induced by Munc13s initiates SNARE complex formation in synaptic exocytosis. EMBO JOURNAL, 36 (6): (816-829). [PMID:28137749] [10.15252/embj.201695775] |
| 4. Fengjuan Zou, Wenjuan Zhou, Weijiang Guan, Chao Lu, Ben Zhong Tang. (2016) Screening of Photosensitizers by Chemiluminescence Monitoring of Formation Dynamics of Singlet Oxygen during Photodynamic Therapy. ANALYTICAL CHEMISTRY, [PMID:27589828] [10.1021/acs.analchem.6b02611] |
| 5. Chunli Yang, Yanan Shi, Yuqing Zhang, Jiayang He, Zhihan Zhang, Xinyue Jia, Ruo Yuan, Wenju Xu. (2024) A bivariate fluorescence biosensor based on Janus DNA nanoarchitecture-loaded dual-emissive Ag nanoclusters as bi-responsive signaling reporters. BIOSENSORS & BIOELECTRONICS, [PMID:39098283] [10.1016/j.bios.2024.116621] |
| 6. Nanzhi Zheng, Yuchen Yang, Wenhao Huang, Jianting Zhang, Guohua Chen. (2025) Boric Acid-Catalyzed Synthesis: A scalable strategy for High-Yield and Tunable red fluorescent carbon dots. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:40523329] [10.1016/j.saa.2025.126562] |
