METHOHEXITAL


Synonyms	Methohexital Methohexital civ Methohexitone
Status
Molecule Category	Free-form
ATC	N01AF01 N05CA15
UNII	E5B8ND5IPE
EPA CompTox	DTXSID1023287


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

Structure


InChI Key	NZXKDOXHBHYTKP-UHFFFAOYSA-N
Smiles	C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O
InChI	InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H18N2O3
Molecular Weight	262.31
AlogP	1.31
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	66.48
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	19.0

Related Entries

Cross References

Resources	Reference
ChEBI	102216
ChEMBL	CHEMBL7413
DrugBank	DB00474
DrugCentral	1748
FDA SRS	E5B8ND5IPE
Human Metabolome Database	HMDB0014617
Guide to Pharmacology	7233
KEGG	C07844
PharmGKB	PA164784030
PubChem	9034
SureChEMBL	SCHEMBL80729

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).