UCSF

ZINC01530769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 25 Yes

Popular Name: Propoxyphene Propoxyphene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17140-78-2 , 26570-10-5 , 34427-79-7 , 55557-30-7 , [1639-60-7] , [72050-78-3]

Other Names:

(+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane

(+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane hydrochloride; (+)-Propoxyphene hydrochloride; (2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (ester) hydrochloride; Propoxyphene HCl; d-4-Dimethylamino-3-methyl-1,2-di

(+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane; (+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionyloxybutane; (S)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate; 4-Dimethylamino-3-methyl-1,2-diphenyl-2-propox

(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionyloxybutane

(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate

(alphaS,1R)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylphenethyl propionate compound with 2-naphthalenesulfonic acid (1:1) monohydrate; 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), 2-naphthalenesulfonate, monohydrate,

(D)-PROPOXYPHENE

(S)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate

1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate

2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), (2S,3R)-

2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate; 2-Naphthalenesulfonic acid, compd. with 3-(dimethylamino)-2-methyl-1-phenyl-1-(phenylmethyl)propyl propanoate (1:1); 2-Naphthalenesulfonic acid, compd. with 4-(dimethylami

2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate, (+)-

2-Naphthalenesulfonic acid compound with (-)-alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenylphenethyl propionate (1:1) monohydrate; 2-Naphthalenesulfonic acid, compd. with (-)-alpha-4-(dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (1:1),

21086-94-2

3818-94-8

4-Dimethylamino-3-methyl-1,2-diphenyl-2-propoxybutane

431

469-62-5

55557-30-7; D04718; Levopropoxyphene napsylate (USAN)

AC1L1UHN

Algafan

alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester

alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionoxybutane

alpha-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate

alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol propionate

alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat

alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat [German]

Antalvic

BAN

Benzeneethanol, alpha-((1R)-2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (alphaS)-

Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (S-(R*,S*))-

Bulk dextropropoxyphene (non-dosage forms)

C22H29NO2

CHEBI:51173

CHEMBL1213351

CID10100

D-Propoxyphene

D-Propoxyphene;Dextropropoxyphene;Dextropropoxyphene-M;Dextroproxifeno

DAP000017

Darvon

Darvon-N

DCF

DCF); Propoxyphene Napsylate (FDA

DEA No. 9273

Deprancol

Depromic

Destropropossifene

Destropropossifene [DCIT]

Dextropropoxifeno

Dextropropoxifeno [INN-Spanish]

dextropropoxifeno; dextropropoxyphene; dextropropoxyphenum

Dextropropoxyphen

Dextropropoxyphene

Dextropropoxyphene (INN

Dextropropoxyphene hydrochloride

Dextropropoxyphene napsylate

Dextropropoxyphene [INN:BAN]

Dextropropoxyphene-M

Dextropropoxyphenum

Dextropropoxyphenum [INN-Latin]

Dextroproxifeno

Dextroproxifeno [Spanish]

Dolene

Dolocap

Doloxen

Doloxene

EINECS 207-420-5

Erantin

Femadol

Harmar

HSDB 3175

INN)

Kesso-Gesic

Levopropoxyphene

Levopropoxyphene napsylate

LS-46517

MFCD00242870

MFCD00265611

MFCD00864260

Propacet

Prophene 65

Propoxychel

Propoxyphene HCl

Propoxyphene HCl 65

Propoxyphene Napsylate

Propoxyphene Napsylate (FDA

Propoxyphene, (+)-

Proxagesic

Proxifezone

Proxyphen

SK 65

UNII-S2F83W92TK

USAN

USP)

USP); Dextropropoxyphene (BAN

USP); Levopropoxyphene Napsylate Anhydrous (FDA); Propoxyphene Hydrochloride (FDA

USP); Propoxyphene HCl (FDA

[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate

[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate hydrochloride

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.98 13.24 -35.01 1 3 1 31 340.487 9 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 5.517 Bitter DB
ALOGPS_SOLUBILITY 4.19e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0005205A1; EP0005911A1; EP0008464A1; EP0009306A1; EP0009386A1; EP0013110A1; EP0031234A1; EP0035363A1; EP0045171A2; EP0069097A2; EP0085963A2; EP0089781A2; EP0090516A1; EP0090526A1; EP0096486A1; EP0106443A2; EP0106443B1; EP0114886A1; EP0119087A1; EP014275 IBM Patent Data
Patent Database Links EP1584335; EP1639997; EP1649857; EP1849460; US2002176888; US2004142904; US2005176790; US2006258721; US2007202049; US2007224129; US2007225379; US2007243132; US2007254940; US2008214613; US2008234257; US2008268071; US2008293695; WO2007106457; WO2008116308; W ChEBI
PUBCHEM_PATENT_ID US5817529 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 2754 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 2754.2287 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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