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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C6H10NO3.Fe
Molecular Weight 344.142
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of FERROTRENINE ANHYDROUS

SMILES

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

HIDE SMILES / InChI

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 C6H10NO3
Molecular Weight 144.1485
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

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 01:52:01 UTC 2023
Edited
by admin
on Sat Dec 16 01:52:01 UTC 2023
Record UNII
844XBK58AV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERROTRENINE ANHYDROUS
Common Name English
IRON, BIS(N-ETHYLIDENE-L-THREONINATO-.KAPPA.N,.KAPPA.O1)-
Common Name English
HYDROGEN BIS(N-ETHYLIDENETHREONINATO) FERRATE (II)
Common Name English
Code System Code Type Description
CAS
128872-72-0
Created by admin on Sat Dec 16 01:52:01 UTC 2023 , Edited by admin on Sat Dec 16 01:52:01 UTC 2023
PRIMARY
FDA UNII
844XBK58AV
Created by admin on Sat Dec 16 01:52:01 UTC 2023 , Edited by admin on Sat Dec 16 01:52:01 UTC 2023
PRIMARY
PUBCHEM
71587474
Created by admin on Sat Dec 16 01:52:01 UTC 2023 , Edited by admin on Sat Dec 16 01:52:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS