EcoDrugPlus


Synonyms	Carisbamate JNJ-10234094 RWJ-333369 RWJ-333369-000 YKP-509
Status
Molecule Category	Free-form
ATC	N03AX19
UNII	P7725I9V3Z
EPA CompTox	DTXSID70426076


InChI Key	OLBWFRRUHYQABZ-MRVPVSSYSA-N
Smiles	NC(=O)OC[C@@H](O)c1ccccc1Cl
InChI	InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1

Property Name	Value
Molecular Formula	C9H10ClNO3
Molecular Weight	215.64
AlogP	1.47
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	72.55
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Resources	Reference
ChEBI	135966
ChEMBL	CHEMBL2087003
DrugBank	DB12338
DrugCentral	4400
FDA SRS	P7725I9V3Z
PubChem	6918474
SureChEMBL	SCHEMBL729003
ZINC	ZINC000030691363

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

CARISBAMATE

Structure

Physicochemical Descriptors

Related Entries

Cross References