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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

Molecular Formula C6H11NO3
Molecular Weight 145.1564
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Molecular Formula Fe
Molecular Weight 55.845
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:48:23 UTC 2023
Edited
by admin
on Sat Dec 16 16:48:23 UTC 2023
Record UNII
659UMG7GHK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERROTRENINE
INN   JAN   WHO-DD  
INN  
Official Name English
IRON, DIAQUABIS(N-ETHYLIDENE-L-THREONINATO-.KAPPA.N,.KAPPA.O1)-
Common Name English
ferrotrenine [INN]
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 Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
FDA UNII
659UMG7GHK
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
INN
1954
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
SMS_ID
100000080962
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
CAS
15339-50-1
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
EVMPD
SUB07614MIG
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
PUBCHEM
76964601
Created by admin on Sat Dec 16 16:48:24 UTC 2023 , Edited by admin on Sat Dec 16 16:48:24 UTC 2023
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE