N-Nitrosotaurocholic Acid

Name: N-Nitrosotaurocholic Acid
Brand: Vaqora Chemicals
SKU: VQ-042777

About N-Nitrosotaurocholic Acid

Vaqora Chemicals supplies N-Nitrosotaurocholic Acid, a nitrosamine impurity of Chenodeoxycholic acid registered under CAS number 82660-96-6. Its molecular formula is C26H44N2O8S and its molecular weight is 544.7 g/mol.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Good laboratory practice and suitable PPE are recommended during handling.

Laboratories use this nitrosamine standard to develop and validate highly sensitive LC-MS/MS methods, to confirm limits of detection and to document nitrosamine risk assessments in regulatory submissions. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Nitrosamine risk assessment
Trace LC-MS/MS quantitation
Method validation (AMV)
Regulatory submissions

Industries

Related to Chenodeoxycholic acid

View every impurity, metabolite and intermediate we list for Chenodeoxycholic acid.

Chenodeoxycholic acid impurities

Specifications & identifiers

Chemical identifiers
Product name	N-Nitrosotaurocholic Acid
Catalogue No.	VQ-042777
CAS Number	82660-96-6
IUPAC name	2-[nitroso-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
Molecular formula	C₂₆H₄₄N₂O₈S
Molecular weight	544.7 g/mol
Exact mass	544.2818
Grade	Reference Standard
HSN code	38229090
InChIKey	RGGOJLKORFRSHP-HZAMXZRMSA-N
SMILES	C[C@H](CCC(=O)N(CCS(=O)(=O)O)N=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
PubChem CID	21120988

Physical properties
Physical form	Solid
LogP (XLogP3)	2.1
H-bond donors / acceptors	4 / 9
TPSA	173 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of N-Nitrosotaurocholic Acid?

The CAS Registry Number of N-Nitrosotaurocholic Acid is 82660-96-6.

What is the molecular formula and molecular weight of N-Nitrosotaurocholic Acid?

N-Nitrosotaurocholic Acid has the molecular formula C26H44N2O8S and a molecular weight of 544.7 g/mol.

What is N-Nitrosotaurocholic Acid used for?

N-Nitrosotaurocholic Acid is supplied as a characterised reference material related to Chenodeoxycholic acid. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of N-Nitrosotaurocholic Acid can I order?

We supply N-Nitrosotaurocholic Acid in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with N-Nitrosotaurocholic Acid?

Yes. Every lot of N-Nitrosotaurocholic Acid is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can N-Nitrosotaurocholic Acid be shipped internationally?

Yes. We export N-Nitrosotaurocholic Acid worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.