EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	V13007Z41A
EPA CompTox	DTXSID80209953

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

V13007Z41A

EPA CompTox

DTXSID80209953


InChI Key	YECIFGHRMFEPJK-UHFFFAOYSA-N
Smiles	O.Cl.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C
InChI	InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2

InChI Key

YECIFGHRMFEPJK-UHFFFAOYSA-N

Smiles

O.Cl.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

InChI

InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2

Property Name	Value
Molecular Formula	C14H25ClN2O2
Molecular Weight	288.16
AlogP	2.83
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	67.33
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H25ClN2O2

Molecular Weight

288.16

AlogP

2.83

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

67.33

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	6108-05-0
NORMAN SUSDAT
FDA SRS	V13007Z41A

Resources

Reference

CAS NUMBER

6108-05-0

NORMAN SUSDAT

FDA SRS

V13007Z41A

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

LIDOCAINE HYDROCHLORIDE MONOHYDRATE

Structure

Physicochemical Descriptors

Cross References