ChemicalBook--->CAS DataBase List--->13395-02-3

13395-02-3

13395-02-3 Structure

13395-02-3 Structure
IdentificationBack Directory
[Name]

aristolactam I
[CAS]

13395-02-3
[Synonyms]

Nsc 87406
Ccris 1545
Brn 0307971
ARISTOLACTAM
aristololactam
aristolactam I
Aristololactum
Aristololactam I
Aristolochic Acid Impurity I
8-Methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
Benzo(F)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-
8-Methoxy-6-aminophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid 5,6-lactam
3,4-Methylenedioxy-8-methoxy-10-aminophenanthrene-1-carboxylic acid 1,10-lactam
[Molecular Formula]

C17H11NO4
[MDL Number]

MFCD00797313
[MOL File]

13395-02-3.mol
[Molecular Weight]

293.27
Chemical PropertiesBack Directory
[Melting point ]

319 °C
[Boiling point ]

463.9±34.0 °C(Predicted)
[density ]

1.49
[storage temp. ]

Refrigerator
[solubility ]

Acetone (Slightly), DMSO (Slightly, Heated), Methanol (Slightly)
[form ]

Solid
[pka]

12.36±0.20(Predicted)
[color ]

Light Yellow to Dark Yellow
[Water Solubility ]

sparingly soluble in water
[InChI]

InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
[InChIKey]

MXOKGWUJNGEKBH-UHFFFAOYSA-N
[SMILES]

N1C2=C3C(C4=C(C=C3C1=O)OCO4)=C1C=CC=C(OC)C1=C2
Safety DataBack Directory
[RIDADR ]

2811
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Chemical Properties]

Yellow crystalline powder, soluble in organic solvents such as methanol, ethanol, DMSO, etc., derived from Alternanthera philoxeroides.
[Uses]

Aristolactam I is a metabolite of Aristolochic acids which are natural nitro-compounds found globally in the plant genus Aristolochia, having carcinogenic effects.
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

aristolactam I(13395-02-3)1HNMR
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