211

2,2',2''-NITRILOTRIETHANOL

Created:	2006-07-14
Last modified:	2011-06-04

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7 entries where 211 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of 211

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Chemical Component Summary
Name	2,2',2''-NITRILOTRIETHANOL
Systematic Name (OpenEye OEToolkits)	2-(bis(2-hydroxyethyl)amino)ethanol
Formula	C₆ H₁₅ N O₃
Molecular Weight	149.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCCN(CCO)CCO
SMILES	CACTVS	3.341	OCCN(CCO)CCO
SMILES	OpenEye OEToolkits	1.5.0	C(CO)N(CCO)CCO
Canonical SMILES	CACTVS	3.341	OCCN(CCO)CCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CO)N(CCO)CCO
InChI	InChI	1.03	InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
InChIKey	InChI	1.03	GSEJCLTVZPLZKY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB13747
Name	Trolamine
Groups	approved
Description	Trolamine, which is also referred to as triethanolamine (TEA), is a tertiary amine and a triol. It is a bifunctional compound that exhibits both properties of alcohols and amines. Trolamine contains small amounts of diethanolamine and ethanolamine and may also act as an antioxidant against the auto-oxidation of animal and vegetable fats [A27174]. It is commonly used as a pH adjuster and surfactant in industrial and cosmetic products such as skin and hair conditioning products.
Synonyms	nitrilotriethanol tris(β-hydroxyethyl)amine 2,2',2''-nitrilotris(ethanol) triethanolamine tris(2-hydroxyethyl)amine Trolamine nitrilo-2,2',2''-triethanol
Brand Names	Calenda-cucumber Oil-free Moisturizer Protection Hp Hand Sanitizergel Bee Pollen-jojoba High Moisture Cream Sallys Box Friendly Black Head Three Step Sheet RUNYI MIAOJIE Hand sanitizer Lecithin-aloe Moisture Cream Tru-micin SUNHEAL Milia Spot Treatment
Indication	Trolamine is used as an alkalizing agent, surfactant, and counter-ion in cosmetic and pharmaceutical formulations [A27174]. It is not considered to be an active pharmacological ingredient and so has no official indication.
Categories	Alcohols Amines Amino Alcohols Cicatrizants Dermatologicals Drugs that are Mainly Renally Excreted Preparations for Treatment of Wounds and Ulcers
ATC-Code	D03AX12
CAS number	102-71-6

Related Resource References

Resource Name	Reference
PubChem	7618
ChEMBL	CHEMBL446061
ChEBI	CHEBI:28621
CCDC/CSD	ETOBAA, BAFTAD10, ETOMNA, ETOSRN, COHLAM, ASIVOQ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.