UCSF

ZINC00057254

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 20 Yes

CAS Numbers: 511-13-7 , 791-35-5

Other Names:

.alpha.-(Dimethylaminoethyl)-o-chlorobenzhydrol

1-(2-Chlorophenyl)-1-phenyl-3-dimethylaminopropanol

1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenyl-1-propanol

1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenyl-1-propanol;1-Phenyl-1-(O-chlorophenyl)-3-dimethylaminopropanol;2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol;alpha-(Dimethylaminoethyl)-O-chlorobenzhydrol;Chlofedanol;Clofedano;Clofedanol;Clofedanolum [inn

1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol

1-(2-chlorophenyl)-3-dimethylamino-1-phenylpropan-1-ol

1-o-Chlorophenyl-1-phenyl-3-dimethylamino-1-propanol hydrochloride; 2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol hydrochloride; Bayer B-186; Bayer-186; Benzenemethanol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-alpha-phenyl-, hydrochloride; Benzhydrol,

1-Phenyl-1-(o-chlorophenyl)-3-dimethylaminopropanol

2-Chloro-.alpha.-(2-dimethylaminoethyl)benzhydrol

2-Chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol

2-Cloro-alpha-(2-dimetilaminoetil)-benzidrolo

2-Cloro-alpha-(2-dimetilaminoetil)-benzidrolo [Italian]

511-13-7 (hydrochloride)

511-13-7; Chlophedianol hydrochloride (USAN); Clofedanol hydrochloride (JP16); Coldrin (TN); D01389

791-35-5

791-35-5; Antitussin (TN); Chlophedianol; Clofedanol (INN); D07721

Abehol

AC-16003

AC1L1EHH

AC1Q3WPB

Alpha-(dimethylaminoethyl)-o-chlorobenzhydrol

Antitussin

Antitussin (TN)

BAN); Chlophedianol HCl (FDA

Benzenemethanol, 2-chloro-.alpha.-[2-(dimethylamino)ethyl]-.alpha.-phenyl-

Benzenemethanol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-alpha-phenyl-

Benzenemethanol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-alpha-phenyl- (9CI)

Benzhydrol, 2-chloro-.alpha.-[2-(dimethylamino)ethyl]-

Benzhydrol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-

BRN 2813922

C17H20ClNO

Calmotusin

Chlofedanol

Chlophedianol Hydrochloride

Chlophedianol Hydrochloride (FDA

CID2795

Clofedano

Clofedanol

Clofedanol (INN

Clofedanol (INN)

Clofedanol [INN:BAN]

Clofedanolum

Clofedanolum [inn-latin]

Clofedianolo

Clofedianolo [italian]

Clophedianol base

Coldrin

D07721

DAP001080

DB04837

Dencyl

Detigon

EINECS 212-340-9

Eutus

INN); Clofedanol Hydrochloride (JAN)

LS-32306

MFCD00866840

MLS002706537

MolPort-005-935-569

NSC 113595

NSC113595

SL 501 base

SL-501

SMR001573941

Tussistop

Ulo

Ulo base

Ulone

UNII-42C50P12AP

USAN); Clofedanol (BAN

USAN); Clofedanol HCl (JAN)

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) 3.23 0.66 -36.02 2 2 1 24 290.814 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.21e-02 g/l DrugBank-approved

Activity (Go SEA)

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

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