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2 RELATED EXCIPIENT COMPANIES

2EXCIPIENTS BY APPLICATIONS

Chemistry

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Also known as: Tak-599, Schembl1464044, Gtpl10899, Q409712, (6r,7r)-7-((z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Formula
C22H21N8O8PS4
Molecular Weight
684.7  g/mol
InChI Key
ZCCUWMICIWSJIX-XHNDKCDBSA-N

Ceftaroline Fosamil
1 2D Structure

Ceftaroline Fosamil

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6R,7R)-7-[[(2E)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
2.1.2 InChI
InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/b26-13+/t14-,19-/m1/s1
2.1.3 InChI Key
ZCCUWMICIWSJIX-XHNDKCDBSA-N
2.1.4 Canonical SMILES
CCON=C(C1=NSC(=N1)NP(=O)(O)O)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]
2.1.5 Isomeric SMILES
CCO/N=C(\C1=NSC(=N1)NP(=O)(O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)[O-]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ceftaroline Fosamil

2. Ppi-0903

3. Ppi0903

4. Tak-599

5. Tak599

6. Teflaro

2.2.2 Depositor-Supplied Synonyms

1. Tak-599

2. Schembl1464044

3. Gtpl10899

4. Q409712

5. (6r,7r)-7-((z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-3-((4-(1-methylpyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

2.3 Create Date
2014-04-11
3 Chemical and Physical Properties
Molecular Weight 684.7 g/mol
Molecular Formula C22H21N8O8PS4
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Exact Mass684.01028135 g/mol
Monoisotopic Mass684.01028135 g/mol
Topological Polar Surface Area330 Ų
Heavy Atom Count43
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Bacterial Agents

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)


4.2 ATC Code

J01DI02

S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355


API Reference Price

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LIMITED","customerCountry":"INDIA","quantity":"0.10","actualQuantity":"100","unit":"GMS","unitRateFc":"350","totalValueFC":"35406.5","currency":"USD","unitRateINR":"25935","date":"25-May-2021","totalValueINR":"2593500","totalValueInUsd":"35406.5","indian_port":"Biocon-SEZ","hs_no":"29419090","bill_no":"1007218","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"N\/A","supplierAddress":"25212 W IL ROUTE 120 ROUND LAKE, IL 60073 UNITED STATES OF AMERICA","customerAddress":"BIOCON SEZ, BIOCON PARK,PLOT NO.2 3"}]
25-May-2021
27-Feb-2024
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