AMOBARBITAL


Synonyms	Amobarbital Amobarbital cii Amylobarbitone Amytal Isomytal NSC-10815 Pentymal
Status
Molecule Category	Free-form
ATC	N05CA02
UNII	GWH6IJ239E
EPA CompTox	DTXSID9020081

Structure


InChI Key	VIROVYVQCGLCII-UHFFFAOYSA-N
Smiles	CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
InChI	InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H18N2O3
Molecular Weight	226.28
AlogP	1.39
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	78.76
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	16.0

Related Entries

Cross References

Resources	Reference
ChEBI	2673
ChEMBL	CHEMBL267894
DrugBank	DB01351
DrugCentral	184
FDA SRS	GWH6IJ239E
Human Metabolome Database	HMDB0015440
KEGG	C07536
PharmGKB	PA448401
PubChem	2164
SureChEMBL	SCHEMBL43780
ZINC	ZINC000004811698

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).