U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]4(CCNC(=O)C3=C(Cl)C(O)=C(O)C=C3)CCCC4)=C(N2C1=O)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
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 22:48:49 UTC 2019
Edited
by admin
on Mon Oct 21 22:48:49 UTC 2019
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 [WHO-DD]
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 [INN]
Common Name English
Code System Code Type Description
INN
10234
Created by admin on Mon Oct 21 22:48:49 UTC 2019 , Edited by admin on Mon Oct 21 22:48:49 UTC 2019
PRIMARY
CAS
1225208-94-5
Created by admin on Mon Oct 21 22:48:49 UTC 2019 , Edited by admin on Mon Oct 21 22:48:49 UTC 2019
PRIMARY
PUBCHEM
77843966
Created by admin on Mon Oct 21 22:48:49 UTC 2019 , Edited by admin on Mon Oct 21 22:48:49 UTC 2019
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY