Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-… 198637-63-7

Name: Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol
Brand: Vaqora Chemicals
SKU: VQ-037474

About Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol

Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol (CAS 198637-63-7) is an impurity of Gadobutrol offered by Vaqora Chemicals. Its molecular formula is C15H32N4O3 and its molecular weight is 316.44 g/mol. Its systematic (IUPAC) name is (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

As a characterised impurity of Gadobutrol, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from 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

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Gadobutrol

View every impurity, metabolite and intermediate we list for Gadobutrol.

Gadobutrol impurities

Specifications & identifiers

Chemical identifiers
Product name	Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol
Catalogue No.	VQ-037474
CAS Number	198637-63-7
IUPAC name	(5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol
Molecular formula	C₁₅H₃₂N₄O₃
Molecular weight	316.44 g/mol
Exact mass	316.2474
Grade	Reference Standard
HSN code	38229090
InChIKey	FRELRIWZBXADCT-ZIAGYGMSSA-N
SMILES	CC1(OC[C@H]([C@@H](CO1)O)N2CCNCCNCCNCC2)C
PubChem CID	68345841

Physical properties
Physical form	Solid
LogP (XLogP3)	-1.6
H-bond donors / acceptors	4 / 7
TPSA	78 Å²
Synonyms	(5R,6S)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, 1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, (5R,6S)-rel-, (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetraazacyclododecan-1-yl)-1,3-dioxepan-5-ol, 1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, trans-, 2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-, Rel-(5R,6S)-2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol

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 Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol?

The CAS Registry Number of Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol is 198637-63-7. It is also known as (5R,6S)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, 1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, (5R,6S)-rel-, (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetraazacyclododecan-1-yl)-1,3-dioxepan-5-ol.

What is the molecular formula and molecular weight of Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol?

Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol has the molecular formula C15H32N4O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol.

What is Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol used for?

Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol is supplied as a characterised reference material related to Gadobutrol. 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 Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol can I order?

We supply Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol 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 Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol?

Yes. Every lot of Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol 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 Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol be shipped internationally?

Yes. We export Rel-(5R,6S)-6-(1,4,7,10-Tetraazacyclododecan-1-yl)-2,2-dimethyl-1,3-dioxepan-5-ol worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.