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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20N8O5S4
Molecular Weight 604.705
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEFTAROLINE

SMILES

[H][C@]12SCC(SC3=NC(=CS3)C4=CC=[N+](C)C=C4)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C5=NSC(N)=N5)C([O-])=O

InChI

InChIKey=RGFBRLNVZCCMSV-BIRGHMBHSA-N
InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H20N8O5S4
Molecular Weight 604.705
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:38 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:38 UTC 2023
Record UNII
H36Z0FHR8K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFTAROLINE
MI   VANDF   WHO-DD  
Common Name English
CEFTAROLINE [MI]
Common Name English
T-91825
Code English
CEFTAROLINE [VANDF]
Common Name English
Ceftaroline [WHO-DD]
Common Name English
PYRIDINIUM, 4-(2-(((6R,7R)-7-(((2Z)-2-(5-AMINO-1,2,4-THIADIAZOL-3-YL)-2-(ETHOXYIMINO)-1-OXOETHYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)THIO)-4-THIAZOLYL)-1-METHYL-, INNER SALT
Common Name English
T 91825
Code English
Classification Tree Code System Code
LIVERTOX 170
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
NDF-RT N0000175488
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
LIVERTOX NBK548666
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
LIVERTOX NBK547862
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
Code System Code Type Description
MERCK INDEX
m3217
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY Merck Index
EVMPD
SUB31649
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
PUBCHEM
9938701
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID90172341
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
CAS
189345-04-8
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
CHEBI
70729
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
MESH
C490727
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
LACTMED
Ceftaroline
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
RXCUI
1040005
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY RxNorm
DAILYMED
H36Z0FHR8K
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
WIKIPEDIA
Ceftaroline
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
FDA UNII
H36Z0FHR8K
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
SMS_ID
100000124177
Created by admin on Fri Dec 15 16:30:38 UTC 2023 , Edited by admin on Fri Dec 15 16:30:38 UTC 2023
PRIMARY
Related Record Type Details
EXCRETED UNCHANGED
URINE
TARGET ORGANISM->INHIBITOR
BINDER->LIGAND
BINDING
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC