UCSF

ZINC03830910

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 17 No

Popular Name: Hexobarbital Hexobarbital

Find On: PubMed — Wikipedia — Google

CAS Number: 56-29-1

Other Names:

(+-)-Hexobarbital

barb-

1,5-Dimethyl-5-(1-cyclohexenyl)barbituric acid

1,5-Dimethyl-5-(1-cyclohexenyl)barbituric acid; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-; 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrion

1,5-Dimethyl-5-cyclohexenyl-1'-barbituric acid, sodium salt; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, sodium salt; 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt; 5-(1-Cyclohexen-1-yl)-1,5

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, (+-)-

235

5-(.delta.-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure

5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

5-(1-cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid; Evipan; Hexobarbital; Hexobarbitone; methexenyl; methylhexabital

5-(1-cyclohexen-1-yl)-1,5-dimethylbarbituric acid

5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid;Hexobarbitone;Methexenyl;Methylhexabital

5-(1-Cyclohexenyl)-1,5-dimethylbarbituric acid

5-(1-Cyclohexenyl-1)-1-methyl-5-methylbarbituric acid

5-(cyclohex-1-en-1-yl)-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione; sodium

5-(delta-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure

5-(delta-1,2-Cyclohexenyl)-5-methyl-N-methyl-barbitursaeure [German]

5-cyclohex-1-en-1-yl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione

5-cyclohex-1-en-1-yl-2-hydroxy-1,5-dimethylpyrimidine-4,6(1H,5H)-dione

56-29-1

56-29-1; C11723; Hexobarbital; Hexobarbitone

56-29-1; D01071; Hexobarbital (JAN/INN)

7200-11-5

AC-16076

AC1L1GB8

AI3-61892

AKOS000355976

Barbidorm

Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-

C11723

CHEBI:102367

CHEBI:5706

CHEMBL7728

CID3608

Citodon

Citopan

Cyclonal

Cyclopal

Cyclopan

D01071

DAP000688

DB01355

Dorico

EINECS 200-264-9

Enhexymal

Enhexymalum

Esobarbitale

Esobarbitale [DCIT]

Esobarbitale [Italian]

Evipal

Evipan

H1005_FLUKA

H1005_SIGMA

Hexabarbital

Hexanastab oral

Hexenal (barbiturate)

Hexobarbital (BAN

Hexobarbital (JAN/INN)

Hexobarbital (VAN)

Hexobarbital Sodium salt

Hexobarbital [INN:JAN]

Hexobarbitalum

Hexobarbitalum [INN-Latin]

Hexobarbitone

Hexobarbitonum

INN

INN); Hexobarbital Sodium (NF)

JAN

LS-24041

Methexenyl

Methylhexabarbital

Methylhexabital

MFCD00057562

MI

MLS001143909

MolPort-001-783-664

MolPort-002-070-456

N-Methyl-5-cyclohexenyl-5-methylbarbituric acid

Narcosan

NCGC00159430-02

NCGC00159430-03

Noctivane

NSC 71929

NSC71929

Oprea1_350917

SMR000473348

Sodium hexobarbital

Sombucaps

Sombulex

Somnalert

STK696034

UNII-AL8Z8K3P6S

USP

USP); Hexobarbital Sodium (NF)

WLN: T6VMVNV FHJ D1 F1 F- AL6UTJ

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) 2.10 3.43 -5.57 1 5 0 66 236.271 1 ↓
Mid Mid (pH 6-8) 1.40 1.68 -36.3 0 5 -1 73 235.263 1 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.176 Bitter DB
ALOGPS_SOLUBILITY 1.51e+00 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0011598A1; EP0355149A1; EP0355149B1; US3935314; US3991193; US4256764; US4313943; US4526898; US4646744; US5699808; US6016444; US6067467; WO1989006966A1; WO1990000860A1 IBM Patent Data
Patent Database Links US2008268071; WO2005009928 ChEBI

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