EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	7C4JH842IJ
EPA CompTox	DTXSID40189686

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

7C4JH842IJ

EPA CompTox

DTXSID40189686


InChI Key	PUGVROXLRUQCAF-UHFFFAOYSA-N
Smiles	Cl.CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
InChI	InChI=1S/C21H23ClFN3O.ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H

InChI Key

PUGVROXLRUQCAF-UHFFFAOYSA-N

Smiles

Cl.CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F

InChI

InChI=1S/C21H23ClFN3O.ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H

Property Name	Value
Molecular Formula	C21H24Cl2FN3O
Molecular Weight	423.13
AlogP	4.43
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	35.91
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C21H24Cl2FN3O

Molecular Weight

423.13

AlogP

4.43

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

35.91

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	36105-20-1
NORMAN SUSDAT
FDA SRS	7C4JH842IJ

Resources

Reference

CAS NUMBER

36105-20-1

NORMAN SUSDAT

FDA SRS

7C4JH842IJ

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

FLURAZEPAM MONOHYDROCHLORIDE

Structure

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