Aristolochic acid Ia

Base Information

• Chemical Name: Aristolochic acid Ia
• CAS No.: 38965-71-8
• Molecular Formula: C16H9NO7
• Molecular Weight: 327.2452
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60192258
• Nikkaji Number: J2.329.740J
• Wikidata: Q83064914
• Metabolomics Workbench ID: 143328
• ChEMBL ID: CHEMBL601026
• Mol file: 38965-71-8.mol

Synonyms:Aristolochic acid Ia;38965-71-8;CCRIS 2578;8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid;BRN 4563308;CHEMBL601026;8-Hydroxy-6-nitrophenanthro(3,4-d)-1,3-dioxolo-5-carboxylic acid;Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-hydroxy-6-nitro-;8-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid;starbld0023278;DTXSID60192258;BDBM50306861;AKOS037514496;LS-102935;FT-0662283;3,4-Methylenedioxy-8-hydroxy-10-nitrophenanthrene-1-carboxylic acid

Chemical Property of Aristolochic acid Ia

Chemical Property:

• Vapor Pressure: 3.02E-18mmHg at 25°C
• Boiling Point: 658.7°Cat760mmHg
• PKA: 3.00±0.20(Predicted)
• Flash Point: 352.1°C
• PSA: 121.81000
• Density: 1.707g/cm³
• LogP: 3.55690
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 327.03790163
• Heavy Atom Count: 24
• Complexity: 535

Purity/Quality:

98.5% ^*data from raw suppliers

ARISTOLOCHIC ACID IA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C3=C4C=CC=C(C4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O
• Uses: A metabolite of carcinogenic Aristolochic acids (AAs).

Technology Process of Aristolochic acid Ia

There total 1 articles about Aristolochic acid Ia which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

aristolochic acid I (313-67-7,61117-05-3) → Aristolochic acid Ia (38965-71-8)

Guidance literature:

With recombinant human cytochrome P₄₅₀ CYP₁A₁; NADPH; at 37 ℃; for 0.166667h; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1124/dmd.110.032201

upstream raw materials:

aristolochic acid I