ChemicalBook--->CAS DataBase List--->17413-38-6

17413-38-6

17413-38-6 Structure

17413-38-6 Structure
IdentificationBack Directory
[Name]

ARISTOLOCHIC ACID D(RG)(PLEASE CALL)
[CAS]

17413-38-6
[Synonyms]

Aristolochic D
Aristolochic acid IVa
Aristolochic acid D,HPLC≥98%
Aristolochic Acid Impurity D
ARISTOLOCHIC ACID D(RG)(PLEASE CALL)
10-Hydroxy-8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
6-Nitro-8-methoxy-10-hydroxyphenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 10-hydroxy-8-methoxy-6-nitro-
10-hydroxy-8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
[Molecular Formula]

C17H11NO8
[MDL Number]

MFCD02751816
[MOL File]

17413-38-6.mol
[Molecular Weight]

357.27
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

Soluble in DMSO;
[form ]

powder
[color ]

Orange-red
[Water Solubility ]

sparingly soluble in water
[InChI]

InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
[InChIKey]

PADIFGYTAXNCRK-UHFFFAOYSA-N
[SMILES]

O1C2=C3C(=C(C(O)=O)C=C2OC1)C([N+]([O-])=O)=CC1C3=CC(O)=CC=1OC
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H341-H351
[Precautionary statements ]

P201-P202-P261-P264-P270-P271-P280-P301+P310-P321-P330-P302+P352-P304+P340-P308+P313-P312-P361+P364-P403+P233-P405-P501
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in methanol, ethanol, DMSO and other organic solvents.
[Uses]

A derivative of carcinogenic Aristolochic acids (AAs).
[Definition]

ChEBI: Aristolochic acid D is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound.
Spectrum DetailBack Directory
[Spectrum Detail]

ARISTOLOCHIC ACID D(RG)(PLEASE CALL)(17413-38-6)1HNMR
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