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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H34ClN7O10S2
Molecular Weight 752.215
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CEFIDEROCOL

SMILES

[H][C@]12SCC(C[N+]4(CCNC(=O)C3=C(Cl)C(O)=C(O)C=C3)CCCC4)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C5=CSC(N)=N5)C([O-])=O

InChI

InChIKey=DBPPRLRVDVJOCL-FQRUVTKNSA-N
InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1

HIDE SMILES / InChI
Molecular Formula C30H34ClN7O10S2
Molecular Weight 752.215
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:36:28 UTC 2023
Edited
by admin
on Sat Dec 16 10:36:28 UTC 2023
Record UNII
SZ34OMG6E8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFIDEROCOL
INN   WHO-DD  
INN  
Official Name English
(6R,7R)-7-[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido]-3-({1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidin-1-ium-1-yl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Systematic Name English
CEFIDEROCOL [MI]
Common Name English
S-649266
Code English
PYRROLIDINIUM, 1-(((6R,7R)-7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-((1-CARBOXY-1-METHYLETHOXY)IMINO)ACETYL)AMINO)-2-CARBOXY-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-3-YL)METHYL)-1-(2-((2-CHLORO-3,4-DIHYDROXYBENZOYL)AMINO)ETHYL)-, INNER SALT
Systematic Name English
GSK2696266
Code English
CEFIDEROCOL [USAN]
Common Name English
Cefiderocol [WHO-DD]
Common Name English
cefiderocol [INN]
Common Name English
Classification Tree Code System Code
LIVERTOX NBK548666
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
LIVERTOX NBK547862
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
Code System Code Type Description
DRUG CENTRAL
5352
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
MERCK INDEX
m12179
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
RXCUI
2265702
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
NCI_THESAURUS
C169831
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
DAILYMED
SZ34OMG6E8
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
WIKIPEDIA
Cefiderocol
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
INN
10234
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
DRUG BANK
DB14879
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
FDA UNII
SZ34OMG6E8
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
CHEBI
140376
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
LACTMED
Cefiderocol
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
SMS_ID
100000175826
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID40109805
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
CAS
1225208-94-5
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
USAN
EF-99
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
PUBCHEM
77843966
Created by admin on Sat Dec 16 10:36:28 UTC 2023 , Edited by admin on Sat Dec 16 10:36:28 UTC 2023
PRIMARY
Related Record Type Details
STENOTROPHOMONAS MALTOPHILIA
TARGET ORGANISM->INHIBITOR
Structure of CEFIDEROCOL DITOSYLATE MONOHYDRATE
SALT/SOLVATE -> PARENT
PSEUDOMONAS AERUGINOSA
TARGET ORGANISM->INHIBITOR
Structure of CEFIDEROCOL
EXCRETED UNCHANGED
URINE
Structure of CEFIDEROCOL SULFATE TOSYLATE ANHYDROUS
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
Primarily to albumin
BINDING
ACINETOBACTER BAUMANNII
TARGET ORGANISM->INHIBITOR
Structure of CEFIDEROCOL
EXCRETED UNCHANGED
URINE
Structure of CEFIDEROCOL SULFATE TOSYLATE
SALT/SOLVATE -> PARENT
KLEBSIELLA PNEUMONIAE
TARGET ORGANISM->INHIBITOR
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Structure of CEFIDEROCOL CATECHOL 4-METHOXY
METABOLITE -> PARENT
URINE
Structure of CEFIDEROCOL 7-EPI
METABOLITE -> PARENT
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Structure of 2-CHLORO-3,4-DIHYDROXY-N-(2-PYRROLIDIN-1-YLETHYL)BENZAMIDE
METABOLITE -> PARENT
PLASMA
Structure of CEFIDEROCOL CATECHOL 3-METHOXY
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of CEFIDEROCOL
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
NCATS
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