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Loracarbef monohydrate

HCID 5284584
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
121961-22-6
Standard SMILES
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O
InChIKey
GPYKKBAAPVOCIW-HSASPSRMSA-N
Molecular formula
C16H18ClN3O5
Average molar mass
367.78 g/mol
Monoisotopic mass
367.0934984

Names & identifiers

Preferred name
Loracarbef monohydrate
IUPAC
(6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate
English name
LORACARBEF (200 MG)
Molecular formula
C16H16ClN3O4.H2O
Molecular weight
367.787

Names & synonyms

Loracarbef monohydrate121961-22-6DTXSID5048718DTXCID2028644RefChem:154088Loracarbef hydrateLoracarbef (hydrate)LorafemCarbacLorabid (TN)LY 163892 monohydrateLY 163892 (hydrate)
Show more names
kt3777ly163892CarbacefaclorLORACARBEF (200 MG)LORACARBEF USP/EP/BPLORACARBEF (200 MG) USP/EP/BPLoracarbef (LY-163892) monohydratemonohydrate,(6r-(6-alpha,7-beta(r*)))-chloro-8-oxo7-((aminophenylacetyl)amino)-3-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylicaci
(6R,7S)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrateLoracarbef (USP)(6R,7S)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, monohydrate(6R,7S)-7-((R)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrateUNII-3X11EVM5SUNCGC00185746-01(6R,7S)-7-[(R)-2-Amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, monohydrateLORACARBEF [JAN]

Database identifiers

Properties

Computed structural properties

Topological polar surface area
114 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
600

Physicochemical properties

Melting point
205 · 205-215° (dec) (Matsukuma)
alpha
21 · D21 +34.0° (c = 0.35 in water)
solubility
Aqueous Acid (Slightly), DMSO (Slightly)
form
Solid
color
White to Off-White
FDA UNII
3 X11EVM5SU · 3X11EVM5SU
HS Code
2941906000 · 2941906000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory Information1-Azabicyclo4.2.0oct-2-ene-2-carboxylic acid, 7-(2R)-aminophenylacetylamino-3-chloro-8-oxo-, monohydrate, (6R,7S)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

hs_code
2941906000

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Applications · 2 items

DescriptionLoracarbef is a new orally active, broad-spectrum cephalosporin suitable for twice a day dosing. It is approved for use in both adults and children for the treatment of upper and lower respiratory tract infections, urinary tract and skin infections.

UsesLORACARBEF's antibacterial activity is similar to that of cefaclor and cefuroxime aspirin, and it is used for pneumonia, pharyngitis, chronic bronchitis, secondary bacterial infections of mild to moderate acute bronchitis, tonsillitis, etc. caused by susceptible bacteria.

Upstream & downstream products

Upstream raw materials

HexanePalladium carbon fine chemical catalyzerCalcium oxideAnhydrous benzeneCitric acid monohydrateThiophenol3-Chloroperoxybenzoic acidSulfuryl chloride

Suppliers4 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS
121961-22-6
PubChem CID
5284584
DTXSID
DTXSID5048718
ChEMBL
CHEMBL1200610
UNII
3X11EVM5SU
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

Additional notes

DefinitionChEBI: The monohydrated form of loracarbef.