CAS 119478-56-7 Meropenem Trihydrate (HCID 441129)

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Grundinformationen

CAS: 119478-56-7
Standard-SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12.O.O.O
InChIKey: CTUAQTBUVLKNDJ-OBZXMJSBSA-N
Summenformel: C17H31N3O8S
Durchschnittliche Molmasse: 437,5 g/mol
Monoisotopische Masse: 437,18318613

Überblick

Meropenem trihydrate is a hydrate. It has a role as an antibacterial drug. It contains a meropenem.

Namen und Bezeichner

Bevorzugter Name: Meropenem Trihydrate
IUPAC: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trihydrate
Englischer Name: Meropenem Trihydrate
Summenformel: C17H27N3O6S
Molmasse: 401.48

Namen und Synonyme

Meropenem trihydrate119478-56-7CHEBI:6770DTXSID10274179Meropenem Hydrate(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3)(6S)-2-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)sulfanyl)-6-((1R)-1-hydroxyethyl)-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3)RefChem:1088998DTXCID201768837(4R,5S,6S)-3-((3S,5S)-5-(Dimethylcarbamoyl)pyrrolidin-3-ylsulfanyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid trihydrate642-885-1MFCD08600005

Weitere Namen anzeigen

MeropenemMEROPENEM WITH SODIUM CARBONATEMeropenem (300 mg)MEROPENEMTRIHYDRATE(3-[[5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0]HEPT-2-ENE-2-CARBOXYLICACIDTRIHYDRATE)Meropenem SanshuiSM 7338 trihydrateMeropenem 3-hydrate

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 138 Å²
H-Brücken-Donoren: 6
H-Brücken-Akzeptoren: 10
Frei drehbare Bindungen: 5
Schwere Atome: 29
Formalladung: 0
Komplexität: 679

Physikochemische Eigenschaften

Schmelzpunkt: 192 °C · >192°C (dec.)
Siedepunkt: 627 ℃ · 627℃
Flammpunkt: 110 ° · >110°(230°F)
storage temp.: -20 °C · -20°C
Löslichkeit: 5 mg/ml · Soluble in aqueous solution at approximately 5mg/ml
Aggregatzustand: powder
Farbe: white to off-white
Merck: 14 · 14,5900
Major Application: forensics and toxicologypharmaceutical (small molecule)
InChIKey: DMJNNHOOLUXYBV-PQTSNVLCSA-N
SMILES: C(C1=C([C@H](C)[C@]2([H])[C@@]([H])([C@H](O)C)C(=O)N12)S[C@@H]1CN[C@H](C(=O)N(C)C)C1)(=O)O.O |&1:3,5,7,9,16,19,r|
CAS Datenbank: 119478 · 119478-56-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.4% (2 of 59) of reports.

Warning

H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)

Sicherheitsdaten

wgk: 3
hs_code: 2941906000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Resp. Sens. 1Skin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMeropenem trihydrate is a carbapenem antibiotic with wide spectrum of antibacterial. It is an ultra-broad spectrum beta-lactam antibiotic and has antibacterial activity against Gram-negative and Gram-positive bacteria as well as anaerobic microorganisms such as Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumoniae, Enterobacter species, Serratia marcescens, Streptococcus pyogenes, Streptococcus agalactiae and Citrobacter sp. Meropenem trihydrate is indicated for the treatment of serious bacterial infection including complicated skin infections, complicated intra-abdominal infections, urinary tract infections, severe pneumonia, broncho-pulmonary infections and bacterial meningitis.