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Aristolochic acid sodium salt - 96%, high purity , CAS No.10190-99-5

COA

Grade & Purity:

≥96%

Cas Number: 10190-99-5
Molecular Weight: 363.25
PubChem CID: 154914
PubChem SID: 504757397

In stock

Item Number

A349466

Grouped product items
SKU	Size	Availability	Price
A349466-25mg	25mg	4	$58.90
A349466-50mg	50mg	2	$90.90
A349466-100mg	100mg	1	$162.90
A349466-250mg	250mg	1	$323.90

a prodrug activated by reduction of the nitro group to an amine, which forms cytotoxic DNA adducts.

Basic Description

Synonyms	8-Methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid sodium salt \| CAS-10190-99-5 \| CCRIS 6498 \| Sodium aristolochate \| KTM3D3H78E \| Aristolocholic acid for system suitability, European Pharmacopoeia (EP) Reference Standard \| NCGC00257580-01 \|
Specifications & Purity	≥96%
Biochemical and Physiological Mechanisms	Component of some Chinese herbal medicines, and responsible for their nephrotoxicity. Prodrug activated by reduction of the nitro group to an amine, which forms cytotoxic DNA adducts.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Aristolochic acid sodium salt is a prodrug activated by reduction of the nitro group to an amine, which forms cytotoxic DNA adducts.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Aristolochic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Aristolochic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aristolochic acids and derivatives
Alternative Parents	Naphthalenecarboxylic acids Nitronaphthalenes Benzodioxoles Anisoles Nitroaromatic compounds Alkyl aryl ethers Carboxylic acid salts Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic sodium salts Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aristolochic acid or derivatives - 1-naphthalenecarboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-nitronaphthalene - 2-nitronaphthalene - Naphthalene - Benzodioxole - Nitroaromatic compound - Anisole - Alkyl aryl ether - Carboxylic acid salt - Organic nitro compound - C-nitro compound - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504757397
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757397
IUPAC Name	sodium;8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate
INCHI	InChI=1S/C17H11NO7.Na/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1
InChIKey	BQVOPWJSBBMGBR-UHFFFAOYSA-M
Smiles	COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]
Isomeric SMILES	COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]
Molecular Weight	363.25
Reaxy-Rn	7964865
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7964865&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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8 results found

Lot Number	Certificate Type	Date	Item
F23161012	Certificate of Analysis	Jun 08, 2023	A349466
F23161016	Certificate of Analysis	Jun 08, 2023	A349466
F23161013	Certificate of Analysis	Jun 08, 2023	A349466
F23161015	Certificate of Analysis	Jun 08, 2023	A349466
F23161014	Certificate of Analysis	Jun 08, 2023	A349466
F23161017	Certificate of Analysis	Jun 08, 2023	A349466
F23161018	Certificate of Analysis	Jun 08, 2023	A349466
F23161019	Certificate of Analysis	Jun 08, 2023	A349466

Chemical and Physical Properties

Solubility	Soluble in Water
Molecular Weight	363.250 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	363.035 Da
Monoisotopic Mass	363.035 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	544.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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