4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-

HCID 23714647CAS 61177-44-4

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Basic information

Standard SMILES: O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[Li+]
InChIKey: JMRXTGCDVQLAFM-JSYANWSFSA-M
Molecular formula: C8H8LiNO5
Average molar mass: 205.1 g/mol
Monoisotopic mass: 205.05625191

Names & identifiers

Preferred name: 4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-
IUPAC: lithium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate

Names & synonyms

4-Oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-(2-hydroxyethylidene)-7-oxo-, lithium salt (1:1), (2R,3Z,5R)-RefChem:526080CLAVULANATE LITHIUM61177-44-4LITHIUM CLAVULANATELithium (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateDTXSID0046012lithium;(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylateClavulanate (lithium)Lithium [2R-(2alpha,3(Z),5alpha)]-3-(2-hydroxyethylidene)-4-oxa-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylateCHEMBL9306

Show more names

Lithium (2R-(2alpha,3(Z),5alpha))-3-(2-hydroxyethylidene)-4-oxa-7-oxo-1-azabicyclo(3.2.0)heptane-2-carboxylateLithium ClaviateNCGC00096009-01EINECS 262-639-3Lithium clavulanate CRSC8H8LiNO57V8MJK33EJHY-A0256BR

Database identifiers

CAS: 61177-44-4
PubChem CID: 23714647
DTXSID: DTXSID0046012
ChEMBL: CHEMBL9306
UNII: 7V8MJK33EJ
EC Number: 262-639-3
Nikkaji: J268.437C

Properties

Computed structural properties

Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 329

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.