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Chemical structure of Doripenem Hydrate

GC16675

Doripenem Hydrate

Also known as (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate

Doripenem Hydrate is a new member of the carbapenem class of beta-lactam antibiotics with broad-spectrum coverage of Gram-positive, Gram-negative and anaerobic pathogens

ChemicalCAS364622-82-2MW438.52FormulaC15H24N4O6S2·H2O
CAS number
364622-82-2
Molecular weight
438.52
Formula
C15H24N4O6S2·H2O
Solubility
≥ 10·96mg/mL in DMSO
InChIKey
NTUBEBXBDGKBTJ-WGLOMNHJSA-N
Catalogue number
GC16675
Brand
GLPBIO
Computed properties PubChem CID 636377 · TPSA 197 Ų · H-bond donors 6 · H-bond acceptors 11
TPSA
197 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
28

SMILES C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O.O

Computed descriptors from PubChem (CID 636377), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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