EcoDrugPlus


Synonyms	Chlorphenoxamine hcl Chlorphenoxamine hydrochloride Clorevan Phenoxene Systral
Status
Molecule Category	Salt-form
UNII	5I159322PY

Synonyms

Chlorphenoxamine hcl

Chlorphenoxamine hydrochloride

Clorevan

Phenoxene

Systral

Status

Molecule Category

Salt-form

UNII

5I159322PY


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	PAQUKACYLLABHB-UHFFFAOYSA-N
Smiles	CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.Cl
InChI	InChI=1S/C18H22ClNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H

InChI Key

PAQUKACYLLABHB-UHFFFAOYSA-N

Smiles

CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.Cl

InChI

InChI=1S/C18H22ClNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H

Property Name	Value
Molecular Formula	C18H23Cl2NO
Molecular Weight	340.29
AlogP	4.18
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H23Cl2NO

Molecular Weight

340.29

AlogP

4.18

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

6.0

Polar Surface Area

12.47

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL2105980
FDA SRS	5I159322PY
PubChem	11223
SureChEMBL	SCHEMBL125112

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

CHLORPHENOXAMINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References