sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Cefathiamidine

Cefathiamidine

CAS No.:
33075-00-2
Catalog Number:
AG01CCI1
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%(HPLC)
In Stock USA
United States
$155
- +
100mg
98%(HPLC)
In Stock USA
United States
$496
- +
Product Description
Catalog Number:
AG01CCI1
Chemical Name:
Cefathiamidine
CAS Number:
33075-00-2
MDL Number:
MFCD01682011
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
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
InChI Key:
JYXACOFERDBGGQ-RHSMWYFYSA-N
UNII:
8M7CAS5T8L
Properties
Complexity:
811  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
472.145g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
472.575g/mol
Monoisotopic Mass:
472.145g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Toxic effect prediction of cefatirizine amidine sodium and its impurities by structure-toxicity relationship of cephalosporins. Toxicology in vitro : an international journal published in association with BIBRA 20180201
A study of tobacco carcinogenesis. XIII. Tumor-promoting subfractions of the weakly acidic fraction. Journal of the National Cancer Institute 19751201
Properties