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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H10NO3.Fe.2H2O
Molecular Weight 380.173
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of FERROTRENINE

SMILES

O.O.[Fe++].CC=N[C@@H]([C@@H](C)O)C([O-])=O.CC=N[C@@H]([C@@H](C)O)C([O-])=O

InChI

InChIKey=IWQQNDAAVPMDJR-NJBPEGNOSA-L
InChI=1S/2C6H11NO3.Fe.2H2O/c2*1-3-7-5(4(2)8)6(9)10;;;/h2*3-5,8H,1-2H3,(H,9,10);;2*1H2/q;;+2;;/p-2/b2*7-3-;;;/t2*4-,5+;;;/m11.../s1

HIDE SMILES / InChI

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Toxicity data in mice.
Oral LD50 >3 mg/kg. Intraperitoneal LD50 634 mg/kg.
Route of Administration: Other
Name Type Language
FERROTRENINE
INN   JAN   WHO-DD  
INN  
Official Name English
ferrotrenine [INN]
Preferred Name English
IRON, DIAQUABIS(N-ETHYLIDENE-L-THREONINATO-.KAPPA.N,.KAPPA.O1)-
Common Name English
HYDROGEN BIS(N-ETHYLIDENETHREONINATO) DIAQUOFERRATE (II)
Common Name English
FERROTRENINE [JAN]
Common Name English
Ferrotrenine [WHO-DD]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C166902
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
FDA UNII
659UMG7GHK
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
INN
1954
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID701239318
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
CAS
15339-50-1
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
EVMPD
SUB07614MIG
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY
PUBCHEM
76964601
Created by admin on Wed Apr 02 08:25:38 GMT 2025 , Edited by admin on Wed Apr 02 08:25:38 GMT 2025
PRIMARY