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Meropenem trihydrate

CAT: 0607-B1217-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B1217-25Size:25 mg
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Description
Broad-spectum β-lactam antibiotic
CAS Number
119478-56-7
Product Name Alternative
(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
Field of Research
Microbiology & Virology Antibiotic
Purity
0.9959
Form
A solid
Solubility
≥20.7 mg/mL in H2O with gentle warming; insoluble in EtOH; ≥49.2 mg/mL in DMSO
Smiles
CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O.O.O.O
Molecular Formula
C17H31N3O8S
Molecular Weight
437.51
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Meropenem Trihydrate

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

CAS Number119478-56-7
PubChem CID441129
IUPAC Name(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
Molecular FormulaC17H31N3O8S
Molecular Weight437.5
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity679
SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O.O.O.O
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
Chemical Structure
2D Structure
2D structure of Meropenem Trihydrate
CAS: 119478-56-7
CID: 441129
Formula: C17H31N3O8S
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass437.18318613
Monoisotopic Mass437.18318613
Topological Polar Surface Area138 Ų
Heavy Atom Count29
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes