UCSF

ZINC03874950

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 17 No

Popular Name: Secobarbital Secobarbital

Find On: PubMed — Wikipedia — Google

CAS Numbers: 309-43-3 , 76-73-3

Other Names:

(+)-Secobarbital; (R)-(+)-Seconal; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (R)-; Barbituric acid, 5-allyl-5-(1-methylbutyl)-, (R)-(+)-; LS-23758; R(+)-5-Allyl-5-(1-methylbutyl)-barbituric acid; R(+)-Secobarbital

(+-)-5-Allyl-5-(1-methylbutyl)-barbituric acid

(+-)-5-Allyl-5-(1-methylbutyl)-barbituric acid; (+-)-Secobarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-; Barbituric acid, 5-allyl-5-(1-methylbutyl)-, (+-)-; LS-23757

(+-)-Secobarbital

(+-)-secobarbital; 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-allyl-5-(1-methylbutyl)barbituric acid; 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione; Seconal

(+/-)-Secobarbital

(+/-)-Secobarbital;Secobarbitale [DCIT];Secobarbitalum [INN-Latin];Sodium quinalbarbitone;Sodium Secobarbital

barb-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)- (9CI)

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt, (R)-; Barbituric acid, 5-allyl-5-(1-methylbutyl)-, sodium salt, R(+)-; LS-23762; R(+)-5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt; R(+)-Secobarbital sodium

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt; 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt; 5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt; 5-Allyl-5-(1-methylbutyl)malonyl

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-; 5-Allyl-5-(1-methylbutyl)barbiturate; 5-Allyl-5-(1-methylbutyl)barbituric acid; 5-Allyl-5-(1-methylbutyl)malonylurea; BRN 0225330; Barbituric acid, 5-allyl-5-(1-methylbutyl)-; Barbosec

29071-21-4

309-43-3; D01310; Secobarbital sodium (JAN/USP); Seconal sodium (TN)

467

5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione

5-24-09-00235 (Beilstein Handbook Reference)

5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

5-Allyl-5-(1-methylbutyl)barbiturate

5-ALLYL-5-(1-METHYLBUTYL)BARBITURIC ACID

5-Allyl-5-(1-methylbutyl)malonylurea

5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione

5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

76-73-3

76-73-3; D00430; Secobarbital (USP/INN); Seconal (TN)

AC1L1JT0

AC1Q2UJO

BAN

Barbituric acid, 5-allyl-5-(1-methylbutyl)-

BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (+-)-

Barbosec

Bipanal

Bipinal sodium

BRN 0225330

C12H18N2O3

CHEBI:9073

CHEMBL447

CID5193

D00430

DAP000674

DEA No. 2315

DEA No. 2316

EINECS 200-982-2

Evronal

Evronal Sodium

Evrronal

FDA

HSDB 3182

Hypotrol

Hyptran

Imesonal

Immenoctal

Immenox

JAN

JAN)

LS-23756

LS-23757

Meballymal

Meballymal sodium

Meballymalum

MFCD00069849

MolPort-003-959-501

Novosecobarb

Pramil

Quinalbarbital

Quinalbarbitone

Quinalbarbitone sodium

Quinalspan

S1503_FLUKA

S1503_SIGMA

S4006_FLUKA

S4006_SIGMA

Sebar

Seco 8

Secobarbital (INN

Secobarbital (USP/INN)

Secobarbital Sodium

Secobarbital Sodium (FDA

Secobarbital sodium salt

Secobarbital solution

Secobarbital suppository dosage form

Secobarbital [USAN:INN]

Secobarbital, Sodium Salt

secobarbital; secobarbitalum

Secobarbitale

Secobarbitale [DCIT]

Secobarbitalum

Secobarbitalum [INN-Latin]

Secobarbitone

Seconal

Seconal (TN)

Sedutain

Seotal

sodium 5-pentan-2-yl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione

Sodium quinalbarbitone

Sodium Secobarbital

Somosal

Synate

Trisomnin

UNII-1P7H87IN75

USP

USP)

USP); Secobarbital (INN

USP); Secobarbital Sodium (BAN

USP); Secobarbital Sodium (FDA

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 -1.37 -4.9 2 5 0 75 238.287 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.736 Bitter DB
ALOGPS_SOLUBILITY 1.21e+00 g/l DrugBank-approved
Patent Database Links EP1749516; EP1759713; EP1990639; US2007258894; WO2007111958; WO2007112581 ChEBI

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )