EcoDrugPlus


Keyword(s):	Human Neurotoxin
Molecule Category	Salt-form
UNII	B66E5RK36Q
EPA CompTox	DTXSID0045412

Keyword(s):

Human Neurotoxin

Molecule Category

Salt-form

UNII

B66E5RK36Q

EPA CompTox

DTXSID0045412


InChI Key	ULFCBIUXQQYDEI-UHFFFAOYSA-N
Smiles	Cl.NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1
InChI	InChI=1/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H

InChI Key

ULFCBIUXQQYDEI-UHFFFAOYSA-N

Smiles

Cl.NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1

InChI

InChI=1/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H

Property Name	Value
Molecular Formula	C10H16ClN3O5
Molecular Weight	293.08
AlogP	-0.49
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	7.0
Number of Rotational Bond	5.0
Polar Surface Area	151.56
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C10H16ClN3O5

Molecular Weight

293.08

AlogP

-0.49

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

7.0

Number of Rotational Bond

5.0

Polar Surface Area

151.56

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	14919-77-8
NORMAN SUSDAT
FDA SRS	B66E5RK36Q

Resources

Reference

CAS NUMBER

14919-77-8

NORMAN SUSDAT

FDA SRS

B66E5RK36Q

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

BENSERAZIDE HYDROCHLORIDE

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