EcoDrugPlus


Synonyms	378C48 Diconal Dipipanone hcl Dipipanone hydrochloride Fenpidon HOECHST 10805 HOECHST-10805 Pipadone
Status
Molecule Category	Salt-form
UNII	8VY00AJ0RL

Synonyms

378C48

Diconal

Dipipanone hcl

Dipipanone hydrochloride

Fenpidon

HOECHST 10805

HOECHST-10805

Pipadone

Status

Molecule Category

Salt-form

UNII

8VY00AJ0RL


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


InChI Key	DTXPDSQEMZRBBG-UHFFFAOYSA-N
Smiles	CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl
InChI	InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H

InChI Key

DTXPDSQEMZRBBG-UHFFFAOYSA-N

Smiles

CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl

InChI

InChI=1S/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H

Property Name	Value
Molecular Formula	C24H32ClNO
Molecular Weight	385.98
AlogP	5.22
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	20.31
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C24H32ClNO

Molecular Weight

385.98

AlogP

5.22

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

7.0

Polar Surface Area

20.31

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

26.0

Resources	Reference
ChEMBL	CHEMBL2107606
FDA SRS	8VY00AJ0RL
PubChem	13330
SureChEMBL	SCHEMBL392119

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).

DIPIPANONE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References