Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| January 22nd, 2014 |
0 |
No
|
Other Names:
4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-; 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid; 5-Allyl-5-(1-methylbutyl)-2-thiobarbitursaeure; Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio- (VAN); C12H18N2O2S; DEA No.
5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid; 5-allyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione; 5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; Thiamylal; dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1
Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium salt, R(+)-; LS-23766; R(+)-5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt; R(+)-Thioamylal sodium
BRD-A23970436-236-02-6
FDA
JAN
JAN)
MFCD00057565
Surital
Thiamylal (USP); Thiamylal Sodium (FDA
Thiamylal Sodium (JAN
Thioseconal
USP
USP)
USP); Thiamylal (USP)
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
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H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Vendor Notes
| Note Type |
Comments |
Provided By |
| ALOGPS_SOLUBILITY |
5.06e-02 g/l |
DrugBank-approved |
| Patent Database Links |
WO2006127024 |
ChEBI |
No pre-computed analogs available. Try a structural similarity search.
