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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O7.C5H14NO.Fe.3H2O
Molecular Weight 402.153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FERROCHOLINATE

SMILES

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

InChI

InChIKey=UQSASSBWRKBREL-UHFFFAOYSA-K
InChI=1S/C6H7O7.C5H14NO.Fe.3H2O/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;;3*1H2/q-1;+1;+3;;;/p-3

HIDE SMILES / InChI

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

Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
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 Fri Dec 15 15:56:55 UTC 2023
Edited
by admin
on Fri Dec 15 15:56:55 UTC 2023
Record UNII
LWI5ZJ8WVL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERROCHOLINATE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
FERROLIP
Brand Name English
FERROCHOLINATE [MI]
Common Name English
FERROCHOLINATE [MART.]
Common Name English
Ferrocholinate [WHO-DD]
Common Name English
FERRIC CHOLINE CITRATE
Common Name English
IRON CHOLINE CITRATE COMPLEX
Common Name English
ferrocholinate [INN]
Common Name English
(HYDROGEN CITRATO(3-))TRIAQUOIRON, CHOLINE SALT
Common Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, (OC-6-44)-TRIAQUA(2-(HYDROXY-.KAPPA.O)-1,2,3-PROPANETRICARBOXYLATO(4-)-.KAPPA.O1,.KAPPA.O2)FERRATE(1-) (1:1)
Common Name English
FRE-SOL
Brand Name English
Classification Tree Code System Code
CFR 21 CFR 172.370
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C1505
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
CONCEPT Dietary Supplement
EVMPD
SUB07612MIG
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
MERCK INDEX
m5335
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C76836
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
INN
890
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
SMS_ID
100000080961
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
CAS
1336-80-7
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
PUBCHEM
46174080
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
FDA UNII
LWI5ZJ8WVL
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
215-649-7
Created by admin on Fri Dec 15 15:56:55 UTC 2023 , Edited by admin on Fri Dec 15 15:56:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE