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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 7-EPI

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-RXFWQSSRSA-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+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H34ClN7O10S2
Molecular Weight 752.215
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 Thu Jul 06 21:12:46 UTC 2023
Edited
by admin
on Thu Jul 06 21:12:46 UTC 2023
Record UNII
I63B282QY2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEFIDEROCOL 7-EPI
Common Name English
CEFIDEROCOL METABOLITE M10
Common Name English
(6R,7S)-7-(((2Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(2-HYDROXY-1,1-DIMETHYL-2-OXO-ETHOXY)IMINO-ACETYL)AMINO)-3-((1-(2-((2-CHLORO-3,4-DIHYDROXY-BENZOYL)AMINO)ETHYL)PYRROLIDIN-1-IUM-1-YL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
I63B282QY2
Created by admin on Thu Jul 06 21:12:46 UTC 2023 , Edited by admin on Thu Jul 06 21:12:46 UTC 2023
PRIMARY
PUBCHEM
145996783
Created by admin on Thu Jul 06 21:12:46 UTC 2023 , Edited by admin on Thu Jul 06 21:12:46 UTC 2023
PRIMARY
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