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Cefadroxil Ethylcarbonate

CAT: 0572-TRC-C435750-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C435750-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2378158-44-0
Hazard Statement
No Data Available
Smiles
N(C([C@H](N)C1=CC=C(OC(OCC)=O)C=C1)=O)[C@H]2[C@@]3(N(C2=O)C(C(O)=O)=C(C)CS3)[H]
Molecular Formula
C19H21N3O7S
Molecular Weight
435.45

Chemical Information

o-Ethoxycarbonyl cefadroxil
CAS Number2378158-44-0
PubChem CID101464540
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-(4-ethoxycarbonyloxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC19H21N3O7S
Molecular Weight435.5
XLogP-1.2
Topological Polar Surface Area174
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity763
SMILES
CCOC(=O)OC1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)N
InChI
InChI=1S/C19H21N3O7S/c1-3-28-19(27)29-11-6-4-10(5-7-11)12(20)15(23)21-13-16(24)22-14(18(25)26)9(2)8-30-17(13)22/h4-7,12-13,17H,3,8,20H2,1-2H3,(H,21,23)(H,25,26)/t12-,13-,17-/m1/s1
InChIKey
LTGKNKPBKMDLSV-PBFPGSCMSA-N
Chemical Structure
2D Structure
2D structure of o-Ethoxycarbonyl cefadroxil
CAS: 2378158-44-0
CID: 101464540
Formula: C19H21N3O7S
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass435.11002119
Monoisotopic Mass435.11002119
Topological Polar Surface Area174 Ų
Heavy Atom Count30
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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