EcoDrugPlus


Synonyms	Urapidil hydrochloride
Status
Molecule Category	Salt-form
UNII	PVU92PZO12
EPA CompTox	DTXSID2045812

Synonyms

Urapidil hydrochloride

Status

Molecule Category

Salt-form

UNII

PVU92PZO12

EPA CompTox

DTXSID2045812


InChI Key	KTMLZVUAXJERAT-UHFFFAOYSA-N
Smiles	COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl
InChI	InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

InChI Key

KTMLZVUAXJERAT-UHFFFAOYSA-N

Smiles

COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1.Cl

InChI

InChI=1S/C20H29N5O3.ClH/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3;/h4-5,7-8,15,21H,6,9-14H2,1-3H3;1H

Property Name	Value
Molecular Formula	C20H30ClN5O3
Molecular Weight	423.95
AlogP	0.72
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	71.74
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C20H30ClN5O3

Molecular Weight

423.95

AlogP

0.72

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

71.74

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL1256716
FDA SRS	PVU92PZO12
PubChem	167980
SureChEMBL	SCHEMBL1321654

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

URAPIDIL HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References