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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O7.C5H14NO.Fe
Molecular Weight 348.108
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FERROCHOLINATE ANHYDROUS

SMILES

[Fe+3].C[N+](C)(C)CCO.[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O

InChI

InChIKey=YJBFEDKRBVBHSN-UHFFFAOYSA-K
InChI=1S/C6H7O7.C5H14NO.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3;/q-1;+1;+3/p-3

HIDE SMILES / InChI

Molecular Formula C6H5O7
Molecular Weight 189.0997
Charge -3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H13NO
Molecular Weight 103.1628
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:36:27 UTC 2023
Edited
by admin
on Sat Dec 16 01:36:27 UTC 2023
Record UNII
0W21KB56NS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERROCHOLINATE ANHYDROUS
Common Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, (OC-6-44)-(2-(HYDROXY-.KAPPA.O)-1,2,3-PROPANETRICARBOXYLATO(4-)-.KAPPA.O1,.KAPPA.O2)FERRATE(1-) (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
76966607
Created by admin on Sat Dec 16 01:36:28 UTC 2023 , Edited by admin on Sat Dec 16 01:36:28 UTC 2023
PRIMARY
FDA UNII
0W21KB56NS
Created by admin on Sat Dec 16 01:36:28 UTC 2023 , Edited by admin on Sat Dec 16 01:36:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE