METHOHEXITAL

Search structure
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N01AF01
UNII: E5B8ND5IPE

Structure
InChI Key NZXKDOXHBHYTKP-UHFFFAOYSA-N
Smile 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

Indications

Mesh Heading Maximum Phase Reference
Depression Early Phase 1 ClinicalTrials
Bipolar Disorder; Depression; Depressive Disorder Phase 4 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 151-83-7
ChEBI 102216
ChEMBL CHEMBL7413
DrugBank DB00474
DrugCentral 1748
EPA CompTox DTXSID1023287
FDA SRS E5B8ND5IPE
Human Metabolome Database HMDB0014617
Guide to Pharmacology 7233
KEGG C07844
PharmGKB PA164784030
PubChem 9034
SureChEMBL SCHEMBL80729
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