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

Cefoperazone dihydrate

CAS No.:
113826-44-1
Catalog Number:
AG008YWE
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$73
- +
25mg
98%(HPLC)
In Stock USA
United States
$175
- +
100mg
98%(HPLC)
In Stock USA
United States
$486
- +
Product Description
Catalog Number:
AG008YWE
Chemical Name:
Cefoperazone dihydrate
CAS Number:
113826-44-1
MDL Number:
MFCD17171280
IUPAC Name:
(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate
InChI:
InChI=1S/C25H27N9O8S2.2H2O/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);2*1H2/t15-,16-,22-;;/m1../s1
InChI Key:
OMYIZCZQILAOGB-BYLXUVCXSA-N
Properties
Complexity:
1250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
681.164g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
681.696g/mol
Monoisotopic Mass:
681.164g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
273A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug metabolism and disposition: the biological fate of chemicals 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties