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Meropenem Sodium Salt

CAT: 0572-TRC-M225620-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M225620-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
211238-34-5
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
[Na+].C[C@@H](O)[C@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)[O-])S[C@@H]3CN[C@@H](C3)C(=O)N(C)C
Molecular Formula
C17 H24 N3 O5 S . Na
Molecular Weight
405.44
InChI
InChI=1S/C17H25N3O5S.Na/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);/q;+1/p-1/t7-,8-,9+,10+,11+,12-;/m1./s1
Additionnal Information
IUPAC name: sodium;(4R,5S,6R)-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-carboxylate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-
CAS Number211238-34-5
PubChem CID23718739
IUPAC Namesodium (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-carboxylate
Molecular FormulaC17H24N3NaO5S
Molecular Weight405.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity685
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.[Na+]
InChI
InChI=1S/C17H25N3O5S.Na/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);/q;+1/p-1/t7-,8-,9+,10+,11-,12-;/m1./s1
InChIKey
UBQRNADYCUXRBD-NACOAMSHSA-M
Chemical Structure
2D Structure
2D structure of 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-
CAS: 211238-34-5
CID: 23718739
Formula: C17H24N3NaO5S
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass405.13343633
Monoisotopic Mass405.13343633
Topological Polar Surface Area138 Ų
Heavy Atom Count27
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes