EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Human Neurotoxin
Molecule Category	Salt-form
UNII	2X50FW96YS
EPA CompTox	DTXSID4042416

Keyword(s):

Food Contact Chemicals ; Human Neurotoxin

Molecule Category

Salt-form

UNII

2X50FW96YS

EPA CompTox

DTXSID4042416


InChI Key	UPUIQOIQVMNQAP-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O
InChI	InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1

InChI Key

UPUIQOIQVMNQAP-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O

InChI

InChI=1S/C14H30O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1

Property Name	Value
Molecular Formula	C14H29NaO4S
Molecular Weight	316.17
AlogP	1.17
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	14.0
Polar Surface Area	66.43
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H29NaO4S

Molecular Weight

316.17

AlogP

1.17

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

14.0

Polar Surface Area

66.43

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	1191-50-0
NORMAN SUSDAT
FDA SRS	2X50FW96YS

Resources

Reference

CAS NUMBER

1191-50-0

NORMAN SUSDAT

FDA SRS

2X50FW96YS

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 MYRISTYL SULFATE

Structure

Physicochemical Descriptors

Cross References