Cephalexin Monohydrate

HCID 62921CAS 1820673-23-1

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Grundinformationen

Standard-SMILES: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O
InChIKey: AVGYWQBCYZHHPN-CYJZLJNKSA-N
Summenformel: C16H19N3O5S
Durchschnittliche Molmasse: 365,4 g/mol
Monoisotopische Masse: 365,10454171

Überblick

Cephalexin monohydrate is a hydrate of cephalexin consisting of equimolar amounts of hydrate and cephalexin. It has a role as an antibacterial drug. It contains a cephalexin.

Namen und Bezeichner

Bevorzugter Name: Cephalexin Monohydrate
IUPAC: (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate

Namen und Synonyme

Cephalexin monohydrate23325-78-2cefalexin hydrate7-(D-alpha-Amino-alpha-phenylacetamido)-3-methyl-3-cephem-4-carboxylic acid monohydrateCHEBI:3535DTXSID30945995RefChem:575134DTXCID901374293(6R,7R)-7-(((2R)-2-amino-2-phenylacetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid--water (1/1);7beta-((2R)-2-amino-2-phenylacetamido)-3-methyl-3,4-didehydrocepham-4-carboxylic acid--water (1/1)Cephalexin hydratePalitrexCephalexin (monohydrate)

Weitere Namen anzeigen

cephalexin.H2Ocefalexin.H2OMFCD00167148Ceffanex(6R,7R)-7-((R)-2-amino-2-phenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrateSQ 20248(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate(6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid--water (1/1)

Datenbank-Bezeichner

CAS: 1820673-23-1、23325-78-2
PubChem CID: 62921
DTXSID: DTXSID30945995
ChEBI: CHEBI:3535
UNII: OBN7UDS42Y
EC Number: 629-748-1、998-943-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 139 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 4
Schwere Atome: 25
Formalladung: 0
Komplexität: 600

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P318, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

Gefahrenhinweise

Regulatory InformationCephalexin: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-methyl-8-oxo-, monohydrate, [6R-[6.alpha.,7.beta.(R*)]]-: Environment tier I assessment

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (20%)

Skin Sens. 1 (100%)