EcoDrugPlus


Synonyms	Carfenazine Carphenazine
Status
Molecule Category	Free-form
UNII	CLY16Y8Z7E
EPA CompTox	DTXSID8022745

Synonyms

Carfenazine

Carphenazine

Status

Molecule Category

Free-form

UNII

CLY16Y8Z7E

EPA CompTox

DTXSID8022745


InChI Key	XZSMZRXAEFNJCU-UHFFFAOYSA-N
Smiles	CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
InChI	InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3

InChI Key

XZSMZRXAEFNJCU-UHFFFAOYSA-N

Smiles

CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2

InChI

InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3

Property Name	Value
Molecular Formula	C24H31N3O2S
Molecular Weight	425.6
AlogP	3.88
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	47.02
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H31N3O2S

Molecular Weight

425.6

AlogP

3.88

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

47.02

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

30.0

Resources	Reference
ChEBI	51235
ChEMBL	CHEMBL1201328
DrugBank	DB01038
DrugCentral	516
FDA SRS	CLY16Y8Z7E
Guide to Pharmacology	7140
PharmGKB	PA164750571
SureChEMBL	SCHEMBL120591
ZINC	ZINC000022446644

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PharmGKB

SureChEMBL

ZINC

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

CARPHENAZINE

Structure

Physicochemical Descriptors

Cross References