TROLAMINE


Synonyms	Mobisyl [as salicylate] NSC-36718 Triethanolamine Trolamine Xerumenex
Status
Molecule Category	Free-form
ATC	D03AX12
UNII	9O3K93S3TK
EPA CompTox	DTXSID9021392

Structure


InChI Key	GSEJCLTVZPLZKY-UHFFFAOYSA-N
Smiles	OCCN(CCO)CCO
InChI	InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C6H15NO3
Molecular Weight	149.19
AlogP	-1.73
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	63.93
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Cross References

Resources	Reference
ChEBI	28621
ChEMBL	CHEMBL446061
DrugBank	DB13747
DrugCentral	2768
FDA SRS	9O3K93S3TK
Human Metabolome Database	HMDB0032538
KEGG	C06771
PDB	211
PubChem	7618
SureChEMBL	SCHEMBL1146
ZINC	ZINC000000896409

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).