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Cefathiamidine

CAT: 0931-T8134-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T8134-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33075-00-2
Target
Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology
Purity
0.9894
Bioactivity
Cefathiamidine exhibits a wide spectrum of antimicrobial activity against bacteria. Cefathiamidine is used for the treatment of respiratory, liver, five senses, urinary tract infections, endocarditis and sepsis
Smiles
C(O)(=O)C=1N2[C@@]([C@H](NC(CSC(NC(C)C)=NC(C)C)=O)C2=O)(SCC1COC(C)=O)[H]
Molecular Formula
C19H28N4O6S2
Molecular Weight
472.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cefathiamidine

Cefathiamidine is a cephalosporin.

CAS Number33075-00-2
PubChem CID15942748
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC19H28N4O6S2
Molecular Weight472.6
XLogP0.5
Topological Polar Surface Area188
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity811
SMILES
CC(C)NC(=NC(C)C)SCC(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
InChI
InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1
InChIKey
JYXACOFERDBGGQ-RHSMWYFYSA-N
Chemical Structure
2D Structure
2D structure of Cefathiamidine
CAS: 33075-00-2
CID: 15942748
Formula: C19H28N4O6S2
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass472.14502697
Monoisotopic Mass472.14502697
Topological Polar Surface Area188 Ų
Heavy Atom Count31
Formal Charge0
Complexity811
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

Alternative Products

CatalogName
TRC-C237550-1GCefathiamidine
INB00161-01Desacetyl cefathiamidine
RM-C062001-01Cefathiamidine Impurity A
TRC-C237552-10MGCefathiamidine-d14
HY-107329RCefathiamidine (Standard)
AR-C01680-01Cefathiamidine Impurity

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