Home Carboxys (7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS No.:
70797-11-4
Catalog Number:
AG00IC3Q
Molecular Formula:
C25H24N8O7S2
Molecular Weight:
612.6375
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$73
- +
10mg
95%
In Stock USA
United States
$119
- +
25mg
95%
In Stock USA
United States
$196
- +
100mg
95%
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG00IC3Q
Chemical Name:
(7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Number:
70797-11-4
Molecular Formula:
C25H24N8O7S2
Molecular Weight:
612.6375
MDL Number:
MFCD00864893
IUPAC Name:
(6R,7R)-7-[[(2R)-2-(4-hydroxyphenyl)-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI:
InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1
InChI Key:
PWAUCHMQEXVFJR-PMAPCBKXSA-N
SMILES:
Oc1ccc(cc1)[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C)NC(=O)c1cnc(cc1O)C
UNII:
P936YA152N
Properties
Complexity:
1270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
612.121g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
612.636g/mol
Monoisotopic Mass:
612.121g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
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Risk factors of postoperative pneumonia after lung cancer surgery. Journal of Korean medical science 20110801
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Involvement of multidrug resistance-associated protein 2 (Abcc2) in molecular weight-dependent biliary excretion of beta-lactam antibiotics. Drug metabolism and disposition: the biological fate of chemicals 20080601
Long level (t4-l1) spinal epidural abscess in a diabetic patient - a case report -. Asian spine journal 20080601
Inflammatory pseudotumor of the liver treated by hepatic resection: a case report. Yonsei medical journal 20060227
Extrapolation of human pharmacokinetic parameters from rat, dog, and monkey data: Molecular properties associated with extrapolative success or failure. Journal of pharmaceutical sciences 20050701
Biliary excretion of olmesartan, an anigotensin II receptor antagonist, in the rat. Journal of gastroenterology and hepatology 20050501
Quantitative evaluation of capacity-limited hepatobiliary transport based on hepatocellular diffusion model by MULTI(FEM). Journal of pharmacokinetics and pharmacodynamics 20011001
Biliary excretion of tauroursodeoxycholate-3-sulfate in the rat. Steroids 20010901
In-vitro antibacterial activities of cefpiramide and other broad-spectrum antibiotics against 440 clinical isolates in China. Journal of infection and chemotherapy : official journal of the Japan Society of Chemotherapy 20000601
[Cefpiramide (Tamicin) in the treatment of purulent complications of abdominal surgery]. Antibiotiki i khimioterapiia = Antibiotics and chemoterapy [sic] 19950901
[Comparative study of cefpiramide + amikacin versus piperacillin + amikacin in granulocytopenic patients: a randomized, prospective study]. Gan to kagaku ryoho. Cancer & chemotherapy 19920801
Properties