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Meropenem-d6

CAT: 1596-AR-M01407-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01407-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217976-95-8
Synonyms
(4R,5S,6S) -3-[[3S,5S) -5-[ (Dimethylamino-d6) carbonyl]-3-pyrrolidinyl]thio]-6-[ (1R) -1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid; ICI 194660-d6; Mepem-d6; Meronem-d6; Meropen-d6; Merrem-d6; Merrem IV-d6; SM 7338-d6; Meropenem-d6 (>90%)
Molecular Formula
C17H19N3O5SD6
Molecular Weight
389.51
API Name
Meropenem

Chemical Information

Meropenem-d6
CAS Number1217976-95-8
PubChem CID46782127
IUPAC Name(4R,5S,6S)-3-[(3S,5S)-5-[bis(trideuteriomethyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular FormulaC17H25N3O5S
Molecular Weight389.5
XLogP-2.4
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity679
SMILES
[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1)SC2=C(N3[C@H]([C@H]2C)[C@H](C3=O)[C@@H](C)O)C(=O)O)C([2H])([2H])[2H]
InChI
InChI=1S/C17H25N3O5S/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)/t7-,8-,9+,10+,11-,12-/m1/s1/i3D3,4D3
InChIKey
DMJNNHOOLUXYBV-ZSJYILIPSA-N
Chemical Structure
2D Structure
2D structure of Meropenem-d6
CAS: 1217976-95-8
CID: 46782127
Formula: C17H25N3O5S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass389.18915256
Monoisotopic Mass389.18915256
Topological Polar Surface Area135 Ų
Heavy Atom Count26
Formal Charge0
Complexity679
Isotope Atom Count6
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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