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Cefprozil-d4

CAT: 0926-BHC17348-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BHC17348-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426173-48-9
Smiles
CC=CC1=C (N2C (C (C2=O) NC (=O) C (C3=CC=C (C=C3) O) N) SC1) C (=O) O
Molecular Formula
C18H19N3O5S
Molecular Weight
393.5 g/mol
Controlled
No

Chemical Information

Cefprozil-d4
CAS Number1426173-48-9
PubChem CID46780203
IUPAC Name(6R,7R)-7-[[(2R)-2-amino-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC18H19N3O5S
Molecular Weight393.5
XLogP-1.4
Topological Polar Surface Area158
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity699
SMILES
[2H]C1=C(C(=C(C(=C1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/C)C(=O)O)N)[2H])[2H])O)[2H]
InChI
InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/b3-2+/t12-,13-,17-/m1/s1/i4D,5D,6D,7D
InChIKey
WDLWHQDACQUCJR-BMKVJPEASA-N
Chemical Structure
2D Structure
2D structure of Cefprozil-d4
CAS: 1426173-48-9
CID: 46780203
Formula: C18H19N3O5S
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass393.12964887
Monoisotopic Mass393.12964887
Topological Polar Surface Area158 Ų
Heavy Atom Count27
Formal Charge0
Complexity699
Isotope Atom Count4
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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