CARISBAMATE


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

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

Related Entries

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).