马兜铃酸Ⅰ

Description

Aristolochic acid I · CAS 313-67-7 · C17H11NO7. UNII 94218WFP5T.

Identification

CAS Registry Number	313-67-7
PubChem CID	2236
Molecular formula	C17H11NO7
IUPAC name	8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
UNII (FDA)	94218WFP5T

Computed Descriptors

Molecular Weight	341.27
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	341.05355169
Monoisotopic Mass	341.05355169
Topological Polar Surface Area	111
Heavy Atom Count	25
Formal Charge	0

Physical description & handling notes

• 185.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3020099]

GHS Hazard Classification

Reported hazard statements	H301 (100%)

Documented Uses

• Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species.
• Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
• Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Synonyms

Aristolochic acid; Aristolochic acid A; 313-67-7; Aristolochic acid I; Aristolochin; Tardolyt; Aristolochic acid-I; ARISTOLOCHINE; TR 1736; NSC-50413; 8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid; 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid; 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid; CHEBI:2825; DTXSID0040969; 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid

Frequently Asked Questions

What are the CAS number and molecular formula of Aristolochic acid I?

CAS 313-67-7; molecular formula C17H11NO7; molecular weight — g/mol.

What other names is Aristolochic acid I known by?

Aristolochic acid, Aristolochic acid A, 313-67-7, Aristolochic acid I, Aristolochin, Tardolyt.

Is Aristolochic acid I classified as hazardous?

Hazard statements reported: H301.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.