UCSF

ZINC00000095

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Substance Information

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

Popular Name: Bromodiphenhydramine Bromodiphenhydramine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 118-23-0 , 1808-12-4

Other Names:

118-23-0

1808-12-4 (hydrochloride)

1808-12-4; Bromanyl (TN); Bromazine hydrochloride; Bromodiphenhydramine hydrochloride (USP); D03166

2-((4-Bromophenyl)(phenyl)methoxy)-N,N-dimethylethanamine

2-((4-Bromophenyl)phenylmethoxy)ethyl(dimethyl)ammonium chloride; 2-((p-Bromo-alpha-phenylbenzyl)oxy)-N,N-dimethylethylamine hydrochloride; 2-(4-Bromobenzohydryloxy)-ethyl-dimethylamine hydrochloride; 4-Bromo-alpha-phenylbenzyl 2-dimethylaminoethyl ether

2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine

2-(p-bromo-alpha-phenylbenzyloxy)-N,N-dimethylethylamine; beta-(p-bromobenzhydryloxy)ethyldimethylamine; beta-dimethylaminoethyl p-bromobenzhydryl ether; bromodiphenhydramine

2-[(4-Bromophenyl)(phenyl)methoxy]-N,N-dimethylethanamine

2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine

2-[(4-Bromophenyl)phenylmethoxy]-N,N-dimethylethanamine

2-{[(4-bromophenyl)(phenyl)methyl]oxy}-N,N-dimethylethanamine

AC1L1DOW

Ambodryl Hydrochloride

Amodryl

Amodryl;Bromanautine;Bromazin;Bromazine;Bromdiphenhydramine

BAN

beta-(p-Bromobenzhydryloxy)ethyldimethylamine

beta-dimethylaminoethyl p-bromobenzhydryl ether

Bromanautine

Bromazin

Bromazina

Bromazina [INN-Spanish]

Bromazina [INN-Spanish]; Bromazine; Bromazine [INN:BAN]; Bromazinum [INN-Latin]; Bromdiphenhydramine; Bromdiphenhydraminum; Bromodiphenhydramine; C17H20BrNO; EINECS 204-238-8; LS-172367

bromazina; bromazine; bromazinum

Bromazine

Bromazine (BAN

Bromazine (INN

Bromazine hydrochloride

Bromazine [INN:BAN]

Bromazinum

Bromazinum [INN-Latin]

Bromdiphenhydramine

Bromdiphenhydramine hydrochloride

Bromdiphenhydraminum

Bromdiphenylhydramine Hydrochloride

Bromo-Benadryl

Bromo-Benzdryl

Bromodiphenhydramine hydrochloride

BROMODIPHENHYDRAMINEHYDROCHLORIDE

C17H20BrNO

CHEBI:59177

CID2444

DAP001072

DB01237

DCF

DCF); Bromodiphenhydramine HCl (FDA

Deserol

EINECS 204-238-8

Ethanamine, 2-[(4-bromophenyl)phenylmethoxy]-N,N-dimethyl-

Histabromamine

INN); Bromodiphenhydramine Hydrochloride (FDA

L001164

LS-172367

Neo-Benadryl

PDSP1_000145

PDSP2_000144

UNII-T032BI7727

USP)

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) 4.31 1.62 -36.11 1 2 1 13 335.265 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.45e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0267051A2; EP0267051B1; EP0367746A2; EP0367746B1; EP0475160B1; EP0530311A1; EP0602112A1; EP0705085B1; EP0886520A1; EP0941077A1; EP1021204A2; EP1030659A1; EP1051155A1; US3954982; US4000302; US4104382; US4110078; US4552899; US4619934; US4738966; US4749697 IBM Patent Data

Activity (Go SEA)

Rings

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