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Ceftobiprole Medocaril Sodium

CAT: 0543-C236-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0543-C236-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
252188-71-9
Applications
Microbiology.
Purity
≥95%
Molecular Formula
C26H26N8O11S2 ∙ N/A
Molecular Weight
713.65
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Zevtera

See also: Ceftobiprole Medocaril Sodium (annotation moved to) ... View More ...

CAS Number252188-71-9
PubChem CID135413543
IUPAC Namesodium (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular FormulaC26H25N8NaO11S2
Molecular Weight712.6
Topological Polar Surface Area313
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Heavy Atom Count48
Formal Charge0
Complexity1570
SMILES
CC1=C(OC(=O)O1)COC(=O)N2CC[C@H](C2)N3CC/C(=C\C4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\O)/C6=NSC(=N6)N)SC4)C(=O)[O-])/C3=O.[Na+]
InChI
InChI=1S/C26H26N8O11S2.Na/c1-10-14(45-26(41)44-10)8-43-25(40)32-4-3-13(7-32)33-5-2-11(20(33)36)6-12-9-46-22-16(21(37)34(22)17(12)23(38)39)28-19(35)15(30-42)18-29-24(27)47-31-18;/h6,13,16,22,42H,2-5,7-9H2,1H3,(H,28,35)(H,38,39)(H2,27,29,31);/q;+1/p-1/b11-6+,30-15-;/t13-,16-,22-;/m1./s1
InChIKey
MFAWUGGPPMTWPU-LCJFHXTKSA-M
Chemical Structure
2D Structure
2D structure of Zevtera
CAS: 252188-71-9
CID: 135413543
Formula: C26H25N8NaO11S2
MW: 712.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count17
Rotatable Bond Count9
Exact Mass712.09819027
Monoisotopic Mass712.09819027
Topological Polar Surface Area313 Ų
Heavy Atom Count48
Formal Charge0
Complexity1570
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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