Basic information
- CAS
562-10-7- Standard SMILES
CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O- InChIKey
KBAUFVUYFNWQFM-UHFFFAOYSA-N- Molecular formula
- C17H22N2O.C4H6O4
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.199822
Overview
Doxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992)
Names & identifiers
- Preferred name
- Donormil
- IUPAC
- butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
- English name
- Doxylamine succinate
- Molecular formula
- C21H28N2O5
- Molecular weight
- 388.46
Names & synonyms
Doxylamine succinate562-10-7DecaprynGittalunUnisomHoggar NDoxy-sleep-aidA-H InjectionDonormilMereprineSedaplusDoxylamine succinate (1:1)
Show more names
hoggarnalsadormDoxylaMineSuccinatDecapryn succinate
AlsodormDonormylDormidinaMeraprinaDecapryn succinate (1:1)Topcare sleep aidDTXSID7020552V9BI9B5YI2
Database identifiers
- CAS
562-10-7- PubChem CID
- 11224
- DTXSID
DTXSID7020552- ChEMBL
CHEMBL1200392- ChEBI
CHEBI:82461- UNII
- V9BI9B5YI2
- EC Number
- 209-228-7
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 369
Experimental & physicochemical properties
Solubility
greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)
>58.3 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
Melting Point217 to 226 °F (NTP, 1992)
Physical DescriptionDoxylamine succinate appears as white or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1. (NTP, 1992)
Collision Cross Section162.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 95 · 95-98C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- Very soluble in water, freely soluble in ethanol (96 per cent).
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.
Warning
H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 88 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Butanedioic acid, compound with N,N-dimethyl-2-[1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine (1:1): Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include drowsiness, excitability, nervousness, dizziness and sleeplessness. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
DOXYLAMINE SUCCINATE
Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]
NIGHTTIME SLEEP AID
Antihistamine [EPC]; Histamine Receptor Antagonists [MoA]; Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
SLEEP AID
Histamine H1 Receptor Antagonists [MoA]; Histamine-1 Receptor Antagonist [EPC]
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Applications
Usesantihistaminic, hypnotic
UsesDoxylamine succinate salt has been used as a therapeutic drug to check developmental toxicity.
UsesH1 Histamine receptor antagonist. Antihistaminic; sedative; hypnotic.
General DescriptionThe acid succinate salt (bisuccinate)of doxylamine, 2-[ -[2-(dimethylamino)ethoxy]- -methylbenzyl]pyridine bisuccinate (Decapryn Succinate), isa white to creamy-white powder with a characteristic odor.It is soluble in water (1:1), alcohol (1:2), and chloroform(1:2). A 1% solution has a pH of about 5.Doxylamine succinate is comparable in potency todiphenhydramine. It is indicated for the relief of seasonalrhinitis symptoms, but is also used as a nighttime sedative.Concurrent use of alcohol and other CNS depressantsshould be avoided.
General DescriptionWhite or creamy white powder. pH (1% aqueous solution) between 4.9 and 5.1.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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