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Chemical structure of Methohexital

GC91535

Methohexital

Also known as 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Methohexital is an analytical reference standard categorized as a barbiturate

ChemicalCAS151-83-7MW262.3FormulaC14H18N2O3
CAS number
151-83-7
Molecular weight
262.3
Formula
C14H18N2O3
Solubility
Acetonitrile： Soluble,Chloroform： Soluble,Methanol： Soluble
InChIKey
NZXKDOXHBHYTKP-UHFFFAOYSA-N
Catalogue number
GC91535
Brand
GLPBIO
Computed properties PubChem CID 9034 · XLogP 2.3 · TPSA 66.5 Ų · H-bond donors 1
XLogP
2.3
TPSA
66.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19

SMILES CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C

Computed descriptors from PubChem (CID 9034), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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