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479-41-4

Basic Information
CAS No.: 479-41-4
Name: 2H-Indol-2-one,3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-
Article Data: 82
Cas Database
Molecular Structure:
Molecular Structure of 479-41-4 (2H-Indol-2-one,3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-)
Formula: C16H10N2O2
Molecular Weight: 262.268
Synonyms: Indirubin(6CI);[D2,3'-Biindoline]-2',3-dione(7CI,8CI);C.I. 73200;Couroupitine B;Indigo red;Indigopurpurin;NSC 105327;
EINECS: 610-392-0
Density: 1.417 g/cm3
Melting Point: 350°C(lit.)
Boiling Point: 496.6 °C at 760 mmHg
Flash Point: 207 °C
Solubility: N/A
Appearance: Reddish-violet powder
Hazard Symbols: N/A
Risk Codes: R20/21/22
Safety:
Transport Information: N/A
PSA: 58.20000
LogP: 2.93420
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    [English name] Indirubin [Chemical name] 2- (2-oxo-1H-indol-3-ylidene) -1H-indol-3-one [Molecular formula] C16H10N2O2 [Molecular weight] 262.26 [CAS Number] 479-41-4 [Detection method] High performance liquid chromatography HPLC [Specification] ≥9

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    Indirubin

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    Indirubin Chemical Properties Melting point 350°C(lit.) Boiling point 496.6±45.0 °C(Predicted) density 1.417±0.06 g/cm3(Predicted) storage temp. -20°C pka 9.13±0.20(Predicted) form Purple powder

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Chemistry

Molecular Structure of 2H-Indol-2-one,3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- (CAS NO.479-41-4):

IUPAC Name: (2E)-2-(2-oxo-1H-indol-3-ylidene)-1H-indol-3-one 
CAS: 479-41-4
Empirical Formula: C16H10N2O2
Molecular Weight: 262.2628
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.709
Molar Refractivity: 72.22 cm3
Molar Volume: 185 cm3
Surface Tension: 63.4 dyne/cm
Density: 1.417 g/cm3
Flash Point: 207 °C
Enthalpy of Vaporization: 76.44 kJ/mol
Boiling Point: 496.6 °C at 760 mmHg
Vapour Pressure: 5.34E-10 mmHg at 25°C
InChI
InChI=1/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,17H,(H,18,20)/b14-13+
Smiles
C1(=C2/Nc3ccccc3C2=O)\c2c(cccc2)NC1=O
Product Categories: Active Pharmaceutical Ingredients; Natural Plant Extract

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Drugs of the Future. Vol. 9, Pg. 266, 1984.
mouse LDLo oral 10gm/kg (10000mg/kg)   Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 24, 1982.

Specification

  2H-Indol-2-one,3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro- , with CAS number of 479-41-4, can be called (delta(sup2,3’)-biindoline)-2’,3-dione;3-(1,3-dihydro-3-oxo-2h-indol-2-ylidene)-1,3-dihydro-2h-indol-2-on ; c.i.73200;2-(2-oxo-1h-indol-3-ylidene)-1h-indol-3-one ; Couroupitine b ; ndigopurpurin ; indigo red ; indirubin .