Relebactam - Moligand™, 10mM in DMSO , CAS No.1174018-99-5

CAS: 1174018-99-5 Cat. No.: R420781 Molecular Weight: 348.375 EC Number: 112-516-4 PubChem CID: 44129647
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
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
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
R420781-1ml
1
$69.90
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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™, 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Names and Identifiers
Canonical SmilesC1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3
IUPAC Name[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
InChIKeySMOBCLHAZXOKDQ-ZJUUUORDSA-N
INCHI1S/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
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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha 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 FrameworkAliphatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight348.380 g/mol
XLogP3-3.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass348.11 Da
Monoisotopic Mass348.11 Da
Topological Polar Surface Area137.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity585.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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