EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	414P5USJ7F
EPA CompTox	DTXSID80159621

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

414P5USJ7F

EPA CompTox

DTXSID80159621


InChI Key	SFLZPZAKIKUJKP-UHFFFAOYSA-N
Smiles	[Cl-].CCOc1ccc(cc1)C(=O)OCCN(CC)CC.[H+]
InChI	InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3

InChI Key

SFLZPZAKIKUJKP-UHFFFAOYSA-N

Smiles

[Cl-].CCOc1ccc(cc1)C(=O)OCCN(CC)CC.[H+]

InChI

InChI=1S/C15H23NO3/c1-4-16(5-2)11-12-19-15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3

Property Name	Value
Molecular Formula	C15H23N1O3
Molecular Weight	265.17
AlogP	2.58
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	38.77
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H23N1O3

Molecular Weight

265.17

AlogP

2.58

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

38.77

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	136-46-9
NORMAN SUSDAT
FDA SRS	414P5USJ7F
ChemSpider	8370.0

Resources

Reference

CAS NUMBER

136-46-9

NORMAN SUSDAT

FDA SRS

414P5USJ7F

ChemSpider

8370.0

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

PARETHOXYCAINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References