UCSF

ZINC07997952

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2006 20 Yes

Other Names:

2-(alpha(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine succinate (1:1); 2-(alpha-(2-Dimethylaminoethoxy)-alpha-methylbenzyl)pyridine succinate; 2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate; 2-Dimethylaminoethoxyphenylmethyl-2-picoline suc

2-(alpha-(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine

2-(alpha-(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine; 2-Dimethylaminoethoxyphenylmethyl-2-picoline; Dossilamina; Doxilminio; N,N-Dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine; Phenyl-2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether

2-Dimethylaminoethoxyphenylmethyl-2-picoline

469-21-6

5-21-03-00508 (Beilstein Handbook Reference)

562-10-7; C19414; Doxylamine succinate

562-10-7; D02327; Decapryn (TN); Doxylamine succinate (USP)

562-10-7; Doxylamine succinate; Prestwick_887

AB00053466

AC-15949

AC1L1FB8

Bendectin; Butanedioic acid, compd. with N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine (1:1),mixt. with 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride; Diclectin; LS-45739

BPBio1_000103

BRD-A44008656-036-05-0

BRN 0230379

BSPBio_000093

BSPBio_001938

C17H22N2O

CHEBI:51380

CHEMBL1004

CID3162

CPD000058436; Doxylamine succinate salt; 562-10-7

CPD000058436; DOXYLAMINE SUCCINATE; SAM001247030

D004319

D07878

DAP000859

DB00366

DECAPRYN

DivK1c_000841

Dossilamina

Dossilamina [DCIT]

doxilamina

doxilamina; doxylamine; doxylaminum

Doxilminio

Doxilminio [INN-Spanish]

Doxylamine

Doxylamine (BAN

Doxylamine (INN)

Doxylamine (succinate)

Doxylamine hydrogen succinate;Alsadorm;Decapryn;Decapryn (TN);Decapryn succinate;Doxylamine succinate;Doxylamine succinate (1:1);Mereprine

Doxylamine succinate, 98%

Doxylamine [INN:BAN]

Doxylaminum

Doxylaminum [INN-Latin]

EINECS 207-414-2

Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-

Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-

HSDB 5184

IDI1_000841

INN); Doxylamine Succinate (FDA

KBio1_000841

KBio2_001494

KBio2_004062

KBio2_006630

KBio3_001158

KBioGR_001135

KBioSS_001494

L001076

LS-127

LS-65021

MFCD00056168

MFCD00599469

MolPort-005-935-542

N,N-Dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine

N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

N,N-dimethyl-2-[(1-phenyl-1-pyridin-2-ylethyl)oxy]ethanamine

N,N-dimethyl-2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethanamine

N/A

NCGC00021147-08

NCGC00089789-02

NCGC00089789-04

NCGC00089789-05

NCI C60684

NINDS_000841

Phenyl-2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether

Prestwick0_000027

Prestwick1_000027

Prestwick2_000027

Prestwick3_000027

Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-

Pyridine, 2-[.alpha.-[2-(dimethylamino)ethoxy]-.alpha.-methylbenzyl]-

SPBio_000130

SPBio_002014

Spectrum2_000115

Spectrum3_000409

Spectrum4_000528

Spectrum5_000949

Spectrum_001014

STL018676

UNII-95QB77JKPL

USP)

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) 2.16 8.73 -32.37 1 3 1 27 271.384 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.41e-01 g/l DrugBank-approved
Therapy antihistaminic, hypnotic SMDC MicroSource
Patent Database Links EP1571145; EP1685843; EP1777223; EP1832287; US2004254182; US2005113383; US2006166960; US2007190043; US2007197661; US2007202050; US2007202055; US2007203104; US2007207222; WO2007095043; WO2007098128; WO2007103687; WO2007125501; WO2008137609 ChEBI
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
Target Histamine Receptor Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100918; 1 succinic acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
P phrase P280: Wear protective gloves/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100918; SALT: 1 succinic acid NIH Clinical Collection via PubChem
Hazard XN: Harmful Acros Organics

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