EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J07237209D

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J07237209D


InChI Key	KHCOJQDJOCNUGV-UHFFFAOYSA-M
Smiles	CCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na]
InChI	InChI=1/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1

InChI Key

KHCOJQDJOCNUGV-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na]

InChI

InChI=1/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1

Property Name	Value
Molecular Formula	C17H33NO3.Na
Molecular Weight	321.23
AlogP	-0.1
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	14.0
Polar Surface Area	60.44
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C17H33NO3.Na

Molecular Weight

321.23

AlogP

-0.1

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

14.0

Polar Surface Area

60.44

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	30364-51-3
NORMAN SUSDAT
FDA SRS	J07237209D

Resources

Reference

CAS NUMBER

30364-51-3

NORMAN SUSDAT

FDA SRS

J07237209D

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

SODIUM N-METHYL-N-(1-OXOTETRADECYL)AMINOACETATE

Structure

Physicochemical Descriptors

Cross References