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4849-90-5

4849-90-5 Structure

4849-90-5 Structure
IdentificationBack Directory
[Name]

ARISTOLOCHIC ACID C
[CAS]

4849-90-5
[Synonyms]

ARISTOLOCHIC ACID C
vAristolochic acid C
Aristolochic acid IIIa
ARISTOLOCHIC ACID C(RG)
ARISTOLOCHIC ACID C(SH)
Aristolochic Acid Impurity C
10-Hydroxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
6-Nitro-10-hydroxyphenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid
Aristolochic acid C, 98%, from Aristolochia debilis Sieb. & Zucc.
10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro-
10-hydroxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
[Molecular Formula]

C16H9NO7
[MDL Number]

MFCD03093714
[MOL File]

4849-90-5.mol
[Molecular Weight]

327.25
Chemical PropertiesBack Directory
[Appearance]

Shiny brown leaflets or a yellow or white powder.
[Melting point ]

287~292℃
[Boiling point ]

658.7±55.0 °C(Predicted)
[density ]

1.707±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

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

Solid
[pka]

3.01±0.20(Predicted)
[color ]

Dark Orange
[Water Solubility ]

sparingly soluble in water
[Major Application]

food and beverages
[InChI]

1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
[InChIKey]

NBFGYDJKTHENDP-UHFFFAOYSA-N
[SMILES]

[N+](=O)([O-])c1c2c(c4c(c1)ccc(c4)O)c3c(cc2C(=O)O)OCO3
Hazard InformationBack Directory
[Chemical Properties]

Shiny brown leaflets or a yellow or white powder.
[Uses]

A metabolite of carcinogenic Aristolochic acids (AAs).
[Potential Exposure]

Aristolochic acids are alkaloids used primarily as a chemical intermediate for pharmaceuticals, lab chemicals, herbal extract, drug.
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed.
[Shipping]

UN1544 Alkaloids, solid, n.o.s. or Alkaloid salts, solid, n.o.s. poisonous, Hazard Class: 6.1; Labels: 6.1- Poisonous materials, Technical Name Required. PG III.
[Incompatibilities]

Compounds of the carboxyl group react with all bases, both inorganic and organic (i.e., amines) releasing substantial heat, water and a salt that may be harmful. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.
[Waste Disposal]

It is inappropriate and possibly dangerous to the environment to dispose of expired or waste drugs and pharmaceuticals by flushing them down the toilet or discarding them to the trash. Household quantities of expired or waste pharmaceuticals may be mixed with wet cat litter or coffee grounds, double-bagged in plastic, discard in trash. Larger quantities shall carefully take into consideration applicable DEA, EPA, and FDA regulations. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator. All federal, state, and local environmental regulations must be observed.
[Definition]

ChEBI: Aristolochic acid C 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, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, 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.
[storage]

4°C, protect from light
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Carc. 2
Muta. 2
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