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Meropenem Vaborbactam (1:1 mixture)

CAT: 0543-M100-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0543-M100-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2031124-72-6
Applications
Microbiology.
Purity
Not reported
Molecular Formula
C29H41BN4O10S2
Molecular Weight
680.6
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Meropenem and vaborbactam
CAS Number2031124-72-6
PubChem CID86298703
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;2-[(3R,6S)-2-hydroxy-3-[(2-thiophen-2-ylacetyl)amino]oxaborinan-6-yl]acetic acid
Molecular FormulaC29H41BN4O10S2
Molecular Weight680.6
Topological Polar Surface Area260
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)CC2=CC=CS2)O.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
InChI
InChI=1S/C17H25N3O5S.C12H16BNO5S/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;15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t7-,8-,9+,10+,11-,12-;8-,10-/m10/s1
InChIKey
SDJYWZHQLNEXKV-SSHSFQATSA-N
Chemical Structure
2D Structure
2D structure of Meropenem and vaborbactam
CAS: 2031124-72-6
CID: 86298703
Formula: C29H41BN4O10S2
MW: 680.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight680.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass680.2357160
Monoisotopic Mass680.2357160
Topological Polar Surface Area260 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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