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Relebactam - 97%, high purity , CAS No.1174018-99-5

COA

Grade & Purity:

Moligand™

≥97%

Cas Number: 1174018-99-5
Molecular Weight: 348.375
PubChem CID: 44129647
PubChem SID: 504770270

In stock

Item Number

R172304

Grouped product items
SKU	Size	Availability	Price
R172304-1mg	1mg	3	$55.90
R172304-5mg	5mg	3	$117.90
R172304-10mg	10mg	3	$187.90
R172304-25mg	25mg	3	$345.90
R172304-50mg	50mg	2	$642.90
R172304-100mg	100mg	2	$979.90

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Basic Description

Synonyms	MFCD28502833 \| [(2S,5R)-7-OXO-2-[(PIPERIDIN-4-YL)CARBAMOYL]-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL]OXIDANESULFONIC ACID \| FT-0652740 \| RELEBACTAM [MI] \| MK-7655 \| (-)-Relebactam anhydrous \| F0001-0010 \| 1OQF7TT3PF \| 1174018-99-5 \| Q27252695 \| EX-A864 \| NCGC002
Specifications & Purity	Moligand™, ≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Alpha amino acid amides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acid amides
Alternative Parents	Piperidinecarboxamides 1,3-diazepanes Imidazolidinones Organic sulfuric acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Alpha-amino acid amide - Piperidinecarboxamide - 2-piperidinecarboxamide - 1,3-diazepane - Diazepane - Imidazolidinone - Piperidine - Imidazolidine - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
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	504770270
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770270
IUPAC Name	[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
INCHI	InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1
InChIKey	SMOBCLHAZXOKDQ-ZJUUUORDSA-N
Smiles	C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3
Isomeric SMILES	C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3
PubChem CID	44129647
Molecular Weight	348.375

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
H2204080	Certificate of Analysis	May 12, 2025	R172304
H2204084	Certificate of Analysis	May 12, 2025	R172304
H2204085	Certificate of Analysis	May 12, 2025	R172304
H2204081	Certificate of Analysis	May 12, 2025	R172304
H2204082	Certificate of Analysis	May 12, 2025	R172304
H2204083	Certificate of Analysis	May 12, 2025	R172304
H2203522	Certificate of Analysis	Jun 09, 2022	R172304

Chemical and Physical Properties

Solubility	Soluble in DMSO and water, insoluble in ethanol
Molecular Weight	348.380 g/mol
XLogP3	-3.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	348.11 Da
Monoisotopic Mass	348.11 Da
Topological Polar Surface Area	137.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	585.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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	1

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