UCSF

ZINC95588079

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2014 0 No

CAS Numbers: 4388-82-3 , 50-06-6 , 57-30-7 , [57-30-7]

Other Names:

(-)-N,alpha-Dimethylcyclohexaneethylamine compound with 5-ethyl-5-phenylbarbituric acid; 1,1-Cyclohexyl-2-methylaminopropane-5,5-phenylethylbarbiturate; Barbexaclon; Barbexaclona [INN-Spanish]; Barbexaclone; Barbexaclone [INN]; Barbexaclonum; Barbexaclonu

barb-

162

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, disodium salt; 5-Ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione disodium salt; LS-135717; Phenobarbital disodium; Phenobarbitone disodium salt

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, monosodium salt; 5-Ethyl-5-phenylbarbituric acid sodium salt; 5-ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione monosodium salt; 5-ethyl-5-phenylbarbituric acid sodium s odium; 5-ethyl-5-phenylbarbituri

4388-82-3; Barbexaclone (INN); D07298; Maliasin (TN)

5-Ethyl-5-phenylbarbituric acid sodium salt; Phenobarbital sodium salt; Phenyl-aethyl-barbitursaeure natrium; Sodium 5-ethyl-5-phenylbarbiturate; Sodium luminal; Sodium phenobarbital; Sodium phenobarbitone; Sodium phenobarbiturate; Sodium phenylethylbarbi

5-Ethyl-5-phenylbarbituric acid; 5-Phenyl-5-ethylbarbituric acid; 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; Phenobarbital; Phenobarbitol; Phenobarbitone; Phenobarbituric Acid; Phenylaethylbarbitursaeure; Phenylethylbarbiturate; Phenylethylbarbitu

50-06-6; C07434; Phenobarbital

57-30-7; D00701; Luminal sodium (TN); Phenobarbital sodium (JAN/USP/INN)

Adonal

Aephenal

Agrypnal

Amylofene

Aphenylbarbit

Aphenyletten

Barbenyl

Barbinal

Barbiphen

Barbiphenyl

Barbipil

Barbita

Barbivis

Barbonal

Barbophen

Bardorm

Bartol

Bialminal

Blu-Phen

Cabronal

calcium 5-ethyl-4,6-dioxo-5-phenyl-1H-pyrimidin-2-olate

Calmetten

Calminal

Cardenal

CHEBI:102217

Chinoin

Codibarbita

Coronaletta

Cratecil

Cyclobarbital

D08356; Gratusminal (TN); Phenobarbital diethylamine

Damoral

Dezibarbitur

Dormina

Dormiral

Dormital

Doscalun

Duneryl

Ensobarb

Ensodorm

Epanal

Epidorm

Epilol

Episedal

Epsylone

Eskabarb

Etilfen

Euneryl

Fenbital

Fenemal

Fenobarbital

Fenobarbital;Phenobarbitol;Phenobarbitone;Phenobarbituric Acid;Phenylethylbarbiturate;Phenylethylbarbituric Acid;Phenylethylmalonylurea

Fenosed

Fenylettae

Gardenal

Gardepanyl

Glysoletten

Haplopan

Haplos

Helional

Hennoletten

Henotal

Hypnaletten

Hypnette

Hypno-Tablinetten

Hypnogen

Hypnolone

Hypnoltol

Hysteps

INN

JAN

Lefebar

Leonal

Lephebar

Lepinal

Lepinaletten

Linasen

Liquital

Lixophen

LS-190386

Lubergal

Lubrokal

Lumen

Lumesettes

Lumesyn

Luminal

Luminal sodium

Lumofridetten

Luphenil

Luramin

MFCD00066494

Molinal

Neurobarb

Nirvonal

Noptil

Nova-Pheno

Nunol

Parkotal

Pharmetten

Phen-Bar

Phenaemal

Phenemal

Phenemalum

Phenobal

Phenobarbital (BAN

phenobarbital sodique; phenobarbital sodium; phenobarbitalum natricum

Phenobarbital sodium

Phenobarbitol

Phenobarbitone

Phenobarbituric Acid

Phenobarbyl

Phenoluric

Phenolurio

Phenomet

Phenonyl

Phenoturic

Phenylethylbarbiturate

Phenylethylbarbituric Acid

Phenylethylmalonylurea

Phenyletten

Phenyral

Phob

Polcominal

Promptonal

Seda-Tablinen

Sedabar

Sedicat

Sedizorin

Sedlyn

Sedofen

Sedonal

Sedonettes

Sevenal

Sinoratox

Solfoton

Solfoton Talpheno

Solu-Barb

Sombutol

Somnolens

Somnoletten

Somnosan

Somonal

Spasepilin

Starifen

Starilettae

Stental

Stental Extentabs

Talpheno

Teolaxin

Teoloxin

Thenobarbital

Theoloxin

Triabarb

Tridezibarbitur

Triphenatol

USP)

USP); Phenobarbital Sodium (INN

Versomnal

Zadoletten

Zadonal

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

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 6.761 Bitter DB
ALOGPS_SOLUBILITY 2.76e-01 g/l DrugBank-approved
UniProt Database Links 4F2_HUMAN; 4F2_MOUSE; 4F2_RABIT; 4F2_RAT; ABCG2_RAT; AL1A7_MOUSE; AL1A7_RAT; CASQ1_CANFA; CASQ1_HUMAN; CASQ1_MOUSE; CASQ1_RABIT; CASQ1_RANES; CASQ1_RAT; CASQ2_CANFA; CASQ2_CHICK; CASQ2_HUMAN; CASQ2_MOUSE; CASQ2_PIG; CASQ2_PONAB; CASQ2_RABIT; CASQ2_RAT; CH ChEBI
Patent Database Links EP1211247; EP1600169; EP1759713; EP1785145; EP1925314; EP1990639; US2002143003; US2004048856; US2004167358; US2005043309; US2005043311; US2005171117; US2005282819; US2006009448; US2006058352; US2007184114; US2007185018; US2007185127; US2007190043; US20071 ChEBI
UniProt Database Links SCNNA_BOVIN; SCNNA_CAVPO; SCNNA_CHICK; SCNNA_HUMAN; SCNNA_MOUSE; SCNNA_RABIT; SCNNA_RAT; SCNNA_XENLA; SCNNB_CANFA; SCNNB_HUMAN; SCNNB_LITCT; SCNNB_MOUSE; SCNNB_RABIT; SCNNB_RAT; SCNNB_SHEEP; SCNNB_XENLA; SCNNC_XENLA; SCNND_HUMAN; SCNND_PANTR; SCNNG_HUMAN ChEBI
Patent Database Links US2007184076; US2007185018 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.