EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	AP6892L90I

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

AP6892L90I


InChI Key	CEKLFGQGDZREAI-UHFFFAOYSA-N
Smiles	[Na+].CCCCCCCCOCC(O)C[S]([O-])(=O)=O
InChI	InChI=1S/C11H24O5S/c1-2-3-4-5-6-7-8-16-9-11(12)10-17(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)

InChI Key

CEKLFGQGDZREAI-UHFFFAOYSA-N

Smiles

[Na+].CCCCCCCCOCC(O)C[S]([O-])(=O)=O

InChI

InChI=1S/C11H24O5S/c1-2-3-4-5-6-7-8-16-9-11(12)10-17(13,14)15/h11-12H,2-10H2,1H3,(H,13,14,15)

Property Name	Value
Molecular Formula	C11H24O5S1
Molecular Weight	268.13
AlogP	1.61
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	83.83
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C11H24O5S1

Molecular Weight

268.13

AlogP

1.61

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

83.83

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	51946-14-6
NORMAN SUSDAT
FDA SRS	AP6892L90I

Resources

Reference

CAS NUMBER

51946-14-6

NORMAN SUSDAT

FDA SRS

AP6892L90I

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 CAPRYLYL PG-SULFONATE

Structure

Physicochemical Descriptors

Cross References