<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4848</id>
  <title>T3D4793</title>
  <common-name>Rhodamine 6g</common-name>
  <description>Rhodamine 6g is an exogenous organic compound with the formula C28H31N2O3 and an average molecular weight of 443.56 g/mol. At room temperature, this substance exists as a solid. Rhodamine 6g belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds.

The compound is classified as an industrial dye. It is often utilized as a tracer dye in water to determine the direction and rate of transport and flow. Because rhodamine dyes fluoresce, they can be detected inexpensively and easily using instruments known as fluorometers. In biotechnology, rhodamine dyes are used extensively for applications including flow cytometry, ELISA, fluorescence correlation spectroscopy, and fluorescence microscopy. Regarding its biological activity, there are seven recorded protein targets for Rhodamine 6g, which include the androgen receptor (AR), the estrogen receptor (ESR1), aromatase (CYP19A1), the translocator protein (TSPO), and three other proteins.</description>
  <cas>989-38-8</cas>
  <pubchem-id>65211</pubchem-id>
  <chemical-formula>C28H31N2O3</chemical-formula>
  <weight>443.6</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>2E+004 mg/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>3, not classifiable as to its carcinogenicity to humans. (L135)</carcinogenicity>
  <use-source>It is often used as a tracer dye within water to determine the rate and direction of flow and transport. Rhodamine dyes fluoresce and can thus be detected easily and inexpensively with instruments called fluorometers. Rhodamine dyes are used extensively in biotechnology applications such as fluorescence microscopy, flow cytometry, fluorescence correlation spectroscopy and ELISA.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T05:16:53Z</created-at>
  <updated-at type="dateTime">2026-05-14T17:54:46Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11177</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>52672</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB03825</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCNC1=CC2=C(C=C1C)C(C1=CC=CC=C1C(=O)OCC)=C1C=C(C)\C(C=C1O2)=[NH+]\CC</moldb-smiles>
  <moldb-formula>C28H31N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24+</moldb-inchi>
  <moldb-inchikey>IWWWBRIIGAXLCJ-BGABXYSRSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal">443.5573</moldb-average-mass>
  <moldb-mono-mass type="decimal">443.233467868</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>6.71</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>58709</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003750</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00017452</susdat-id>
  <iupac>9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-10λ⁴-xanthen-10-ylium chloride</iupac>
  <moldb-polar-surface-area>61.53</moldb-polar-surface-area>
  <moldb-refractivity>158.20739999999998</moldb-refractivity>
  <moldb-polarizability>52.11054939122107</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>6.1256273065188696</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>2.62</moldb-alogps-logp>
  <moldb-alogps-logs>-6.18</moldb-alogps-logs>
  <moldb-alogps-solubility>3.14e-04 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzopyrans</klass>
  <subklass>1-benzopyrans</subklass>
  <paper-count type="integer">8402</paper-count>
  <sync-id>CED0003431</sync-id>
  <structure-inchikey>IWWWBRIIGAXLCJ-BGABXYSRSA-O</structure-inchikey>
  <structure-fingerprint>100000000000000000080000000004000005000000000000000000000000000000000000200000000004000800000000002020000000000000000300000000000000000000000000000000000000a404020800000000100020000000000018000000000010000000000000000100000000000000000000080000080000000000000000040000000800000040000000080000000000100000080020000000000000020000000000000060000080100000080000021000000000000000000000000000000000000000800000004000000004000000000002200001200020400000080a40000000000000040000000000400000000000000040100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€���`�������`�������h�������@(������@h�������@(������@(������@h�������@(�������`������@(������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������(�������`�������`������@(������@h�������@(�������`������@(������@h�������@(������@(������ :���������`�������`�������������� ��h���h���h���h���h��	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:31Z</structure-indexed-at>
</compound>
