# 朱红 (CAS 117342-26-4)

CAS: 117342-26-4
PubChem CID: 9958312
InChIKey: XUPLAFJEGMCRDR-UHFFFAOYSA-N
Molecular formula: C29H30BrNO3
Molar mass: 520.5 g/mol
IUPAC: 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILES: CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Br)C
InChI: InChI=1S/C29H30BrNO3/c1-4-6-14-31(15-7-5-2)20-12-13-23-27(17-20)33-26-16-19(3)25(30)18-24(26)29(23)22-11-9-8-10-21(22)28(32)34-29/h8-13,16-18H,4-7,14-15H2,1-3H3
logP (XLogP3): 7.8
PSA: 38.8 A^2
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 34
3D structure: 64 atoms, 68 bonds

## About the compound

朱红 (CAS 117342-26-4) is a chemical compound registered under CAS number 117342-26-4. Molecular formula: C29H30BrNO3. Molar mass: 520.5 g/mol. The full systematic IUPAC name is: 2'-bromo-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one. The molecule contains 64 atoms connected by 68 chemical bonds. 
Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molekula/117342-26-4/


## Synonyms

  - 117342-26-4
  - SCHEMBL27083121
  - SCHEMBL29882971
  - XUPLAFJEGMCRDR-UHFFFAOYSA-N
  - 2'-Bromo-6'-(dibutylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
  - 2a(2)-Bromo-6a(2)-(dibutylamino)-3a(2)-methylspiro[isobenzofuran-1(3H),9a(2)-[9H]xanthen]-3-one

## Available in the shop

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Product: 朱红 (CAS 117342-26-4) — Shenyang Photosensitive Research Institute
URL: https://molgod.org/sds-cards/%e6%9c%b1%e7%ba%a2-cas-117342-26-4-shenyang-photosensitive-research-institute/

## Data sources

  - PubChem CID 9958312: https://pubchem.ncbi.nlm.nih.gov/compound/9958312
  - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=117342-26-4
  - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=117342-26-4

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Last updated: 2026-09-02
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