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7-ZACA

CAT: 0931-T66940-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T66940-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30246-33-4
Target
Others
Related Pathways
Others
Purity
0.9973
Bioactivity
7-ZACA (cefazolin decarboxylated) is a decarboxylated derivative of cefazolin, suitable for biochemical experiments and drug synthesis research.
Smiles
C(O)(=O)C=1N2[C@@]([C@H](N)C2=O)(SCC1CSC=3SC(C)=NN3)[H]
Molecular Formula
C11H12N4O3S3
Molecular Weight
344.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cefazolin deacylated
CAS Number30246-33-4
PubChem CID6350581
IUPAC Name(6R,7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC11H12N4O3S3
Molecular Weight344.4
XLogP-3.2
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity515
SMILES
CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O
InChI
InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9-/m1/s1
InChIKey
HJSGHKMSDOLGJJ-HZGVNTEJSA-N
Chemical Structure
2D Structure
2D structure of Cefazolin deacylated
CAS: 30246-33-4
CID: 6350581
Formula: C11H12N4O3S3
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP3-3.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass344.00715378
Monoisotopic Mass344.00715378
Topological Polar Surface Area188 Ų
Heavy Atom Count21
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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