Phenosafranine - ≥80% , CAS No.81-93-6

CAS: 81-93-6 Cat. No.: P100612 Molecular Weight: 322.79 Beilstein Registry Number: 3642082 EC Number: 201-387-0

GRADE & PURITY ≥80%

Synonyms

HY-W040198 | Phenosafranin, Dye content 80 % | AMY22408 | WLN: T C666 BK INJ BR& EZ MZ &G &9/26 | Phenazinium, 3,7-diamino-5-phenyl-, chloride | UNII-47U3T2FC2W | Q11697891 | Phenazinium,2,8-diamino-10-phenyl-,chloride(1:1) | Phenosafranine, chloride | DT

Storage

Room temperature

Shipped In

Normal

Overview

Phenosafranin is a phenylphenazinium bacterial stain for microscopy with an absorption maximum of 519 nm.
A phenylphenazinium bacterial stain for microscopy.

Specifications

Synonyms

HY-W040198 | Phenosafranin, Dye content 80 % | AMY22408 | WLN: T C666 BK INJ BR& EZ MZ &G &9/26 | Phenazinium, 3, 7-diamino-5-phenyl-, chloride | UNII-47U3T2FC2W | Q11697891 | Phenazinium, 2, 8-diamino-10-phenyl-, chloride(1:1) | Phenosafranine, chloride | DT

Specifications & Purity

≥80%

Storage

Room temperature

Shipped In

Normal

Purity

≥80%

Names and Identifiers

• Pubchem Sid: 504754005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754005
• Canonical Smiles: C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]
• IUPAC Name: 10-phenylphenazin-10-ium-2,8-diamine;chloride
• InChIKey: SOUHUMACVWVDME-UHFFFAOYSA-N
• INCHI: 1S/C18H14N4.ClH/c19-12-6-8-15-17(10-12)22(14-4-2-1-3-5-14)18-11-13(20)7-9-16(18)21-15;/h1-11H,(H3,19,20);1H
• Isomeric SMILES: C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]
• WGK Germany: 3
• RTECS: SG1630000
• Molecular Weight: 322.79
• Beilstein: 3642082
• Reaxy-Rn: 3642082
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3642082&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: Pyrazinium compounds Pyrazines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenazine - Monocyclic benzene moiety - Pyrazine - Pyrazinium - Benzenoid - Heteroaromatic compound - Azacycle - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: organic chloride salt - phenazines

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

A498 (42825 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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OVCAR-5 (45555 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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HCC 2998 (41480 Activities)

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Hs-578T (29457 Activities)

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NCI-H460 (60772 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-N (28205 Activities)

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Malme-3M (44254 Activities)

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MDA-MB-231 (73002 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, and ethanol.
• Melt Point(°C): 300°C
• Molecular Weight: 322.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 322.099 Da
• Monoisotopic Mass: 322.099 Da
• Topological Polar Surface Area: 68.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 355.000
• 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

XLogP3

References

1. Jingzhou Hou, Huixiang Wu, Xin Shen, Chao Zhang, Changjun Hou, Qiang He, Danqun Huo.  (2020)  Phenosafranin-Based Colorimetric-Sensing Platform for Nitrite Detection Enabled by Griess Assay.  SENSORS,  20  (5): (1501).  [PMID:32182908] [10.3390/s20051501]

2. Yi Tang, Lingli Wang, Yu Fu, Zhaohui Wang.  (2025)  Temperature-regulated non-radical to radical oxidation of organic pollutants by peroxymonosulfate: A tale of ice and fire.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2025.107608]

3. Zhaokang Zheng, Zhen Liu, Yujie Ma, Aiwu Wang, Cangtao Zhou, Muhammad Humayun, Mohamed Bououdina.  (2025)  Oxygen-vacancy-rich MoO3-x nanostructures for ultrahigh cationic dye adsorption: Kinetics, isotherms, thermodynamics, and mechanism.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2025.113454]