| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 20 | Yes |
Popular Name: Doxylamine Succinate Doxylamine Succinate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 469-21-6 , 562-10-7 , 562-10-7, 469-21-6 [doxyl , 562-10-7, 469-21-6 [doxylamine] , [562-10-7]
2-(alpha-(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine
2-Dimethylaminoethoxyphenylmethyl-2-picoline
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
CPD000058436; Doxylamine succinate salt; 562-10-7
CPD000058436; DOXYLAMINE SUCCINATE; SAM001247030
doxilamina; doxylamine; doxylaminum
Ethanamine, N,N-dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)-
Ethanamine, N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]-
INN); Doxylamine Succinate (FDA
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
Phenyl-2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether
Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-
Pyridine, 2-[.alpha.-[2-(dimethylamino)ethoxy]-.alpha.-methylbenzyl]-
| 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 | 9.1 | -35.1 | 1 | 3 | 1 | 27 | 271.384 | 6 | ↓ |
| 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 |
| PUBCHEM_PATENT_ID | US4125057; US4172309; US4444072; US4705252; US4708583; US4800083; US4918293; US5056985; US5176822; WO1985000516A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
