FLAVANTHRONE

• CAS: 475-71-8
• Catalog Number: ACM475718
• Category: Main Products
• Molecular Weight: 408.41
• Molecular Formula: C₂₈H₁₂N₂O₂
• Synonyms: Flavanthrone;C.I. VAT YELLOW 1;VAT Yellow 1
• IUPAC Name: Benzo[h]Benz[5,6]Acridino[2,1,9,8-Klmna]Acridine-8,16-Dione
• Canonical SMILES: C1=CC=C2C(=C1)C3=NC4=C5C6=C(C=C4)C(=O)C7=CC=CC=C7C6=NC8=C5C3=C(C2=O)C=C8
• InChI Key: KJPJZBYFYBYKPK-UHFFFAOYSA-N
• Boiling Point: 730.1ºC at 760 mmHg
• Flash Point: 365.3ºC
• Density: 1.575 g/cm³
• Appearance: Yellow powder
• EC Number: 207-498-0
• Exact Mass: 408.09000
• Safety Description: S22-S24/25

Custom Q&A

What is the molecular formula of FLAVANTHRONE?

The molecular formula of FLAVANTHRONE is C28H12N2O2.

What is the molecular weight of FLAVANTHRONE?

The molecular weight of FLAVANTHRONE is 408.4 g/mol.

What is the IUPAC name of FLAVANTHRONE?

The IUPAC name of FLAVANTHRONE is 16,30-diazaoctacyclo[15.11.1.1 4,28 .0 2,15 .0 3,12 .0 5,10 .0 18,23 .0 25,29 ]triaconta-1(28),2(15),3(12),4(30),5,7,9,13,16,18,20,22,25(29),26-tetradecaene-11,24-dione.

What is the InChI of FLAVANTHRONE?

The InChI of FLAVANTHRONE is InChI=1S/C28H12N2O2/c31-27-15-7-3-1-5-13(15)25-21-17(27)9-12-20-23(21)24-19(29-25)11-10-18-22(24)26(30-20)14-6-2-4-8-16(14)28(18)32/h1-12H.

What is the InChIKey of FLAVANTHRONE?

The InChIKey of FLAVANTHRONE is KJPJZBYFYBYKPK-UHFFFAOYSA-N.

What is the canonical SMILES of FLAVANTHRONE?

The canonical SMILES of FLAVANTHRONE is C1=CC=C2C(=C1)C3=NC4=C5C6=C(C=C4)C(=O)C7=CC=CC=C7C6=NC8=C5C3=C(C2=O)C=C8.

What is the CAS number of FLAVANTHRONE?

The CAS number of FLAVANTHRONE is 475-71-8.

What is the UNII of FLAVANTHRONE?

The UNII of FLAVANTHRONE is 5FA52JAB7C.

What is the ChEMBL ID of FLAVANTHRONE?

The ChEMBL ID of FLAVANTHRONE is CHEMBL137369.

What is the Wikipedia page for FLAVANTHRONE?

The Wikipedia page for FLAVANTHRONE is "Vat_Yellow_1".

Synthetic Use

Downstream Synthesis Route 1

• 1135021-59-8
• 475-71-8

• 1392044-28-8

Reference: [1]Current Patent Assignee: MERCK KGAA - WO2012/100900, 2012, A1
Location in patent: Page/Page column 45

* For details of the synthesis route, please refer to the original source to ensure accuracy.