sanfetrinem - Moligand™ , CAS No.156769-21-0

CAS: 156769-21-0 Cat. No.: S613403 PubChem CID: 71452
AVAILABLE TO ORDER
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.
Synonyms
Sanfetrinem | UNII-0S36458I44 | 0S36458I44 | Azeto[2,1-a]isoindole-4-carboxylic acid, 1,2,5,6,7,8,8a,8b-octahydro-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-, monosodium salt, (1S,5S,8aS,8bR)- | (1S,5S,8aS,8bR)-1-[1(R)-Hydroxyethyl]-5-methoxy-2-oxo-1,2,5,6,7
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S613403-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
25mg
S613403-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,714.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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
Sanfetrinem | UNII-0S36458I44 | 0S36458I44 | Azeto[2, 1-a]isoindole-4-carboxylic acid, 1, 2, 5, 6, 7, 8, 8a, 8b-octahydro-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-, monosodium salt, (1S, 5S, 8aS, 8bR)- | (1S, 5S, 8aS, 8bR)-1-[1(R)-Hydroxyethyl]-5-methoxy-2-oxo-1, 2, 5, 6, 7
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Names and Identifiers
Canonical SmilesCO[C@H]1CCC[C@H]2C1=C(C(=O)O)N1[C@H]2[C@H](C1=O)[C@H](O)C
IUPAC Name(1S,5S,8aS,8bR)-1-[(1R)-1-hydroxyethyl]-5-methoxy-2-oxo-5,6,7,8,8a,8b-hexahydro-1H-azeto[1,2-b]isoindole-4-carboxylic acid
InChIKeyICFDDEJRXZSWTA-KJFVXYAMSA-N
INCHI1S/C14H19NO5/c1-6(16)9-11-7-4-3-5-8(20-2)10(7)12(14(18)19)15(11)13(9)17/h6-9,11,16H,3-5H2,1-2H3,(H,18,19)/t6-,7+,8+,9-,11-/m1/s1
Isomeric SMILES C[C@H]([C@@H]1[C@H]2[C@H]3CCC[C@@H](C3=C(N2C1=O)C(=O)O)OC)O
PubChem CID 71452

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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
SuperclassOrganoheterocyclic compounds
ClassLactams
SubclassBeta lactams
Intermediate Tree Nodes Not available
Direct ParentCarbapenems
Alternative Parents Alpha amino acids and derivatives  Isoindoles  Pyrroline carboxylic acids  Azepines  Tertiary carboxylic acid amides  Secondary alcohols  Azetidines  Azacyclic compounds  Monocarboxylic acids and derivatives  Dialkyl ethers  Carboxylic acids  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Carbapenem - Alpha-amino acid or derivatives - Isoindole - Isoindole or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Tertiary carboxylic acid amide - Pyrroline - Azetidine - Carboxamide group - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Streptococcus pneumoniae (31063 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacteroides fragilis (1445 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridium perfringens (1165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight281.300 g/mol
XLogP3-0.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass281.126 Da
Monoisotopic Mass281.126 Da
Topological Polar Surface Area87.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity500.000
Isotope Atom Count0
Defined Atom Stereocenter Count5
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
Reviews

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