CHEBI:6770 - meropenem trihydrate

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ChEBI Name meropenem trihydrate
ChEBI ID CHEBI:6770
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H25N3O5S.3H2O
Net Charge 0
Average Mass 437.50946
Monoisotopic Mass 437.18319
InChI InChI=1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1
InChIKey CTUAQTBUVLKNDJ-OBZXMJSBSA-N
SMILES [H]O[H].[H]O[H].[H]O[H].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
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ChEBI Ontology
Outgoing meropenem trihydrate (CHEBI:6770) has part meropenem (CHEBI:43968)
meropenem trihydrate (CHEBI:6770) has role antibacterial drug (CHEBI:36047)
meropenem trihydrate (CHEBI:6770) is a hydrate (CHEBI:35505)
IUPAC Name
(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1β-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid—water (1:3)
INN Source
Meronem DrugBank
Brand Name Source
Merrem DrugBank
Manual Xrefs Databases
D02222 KEGG DRUG
DB00760 DrugBank
View more database links
Registry Number Type Source
119478-56-7 CAS Registry Number ChemIDplus
Last Modified
22 September 2008