CAS 469-21-6|doxylamine

Introduction：Basic information about CAS 469-21-6|doxylamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. doxylamine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Synonyms

Common Name	doxylamine
CAS Number	469-21-6	Molecular Weight	270.37
Density	1.043 g/cm3	Boiling Point	364.9ºC at 760 mmHg
Molecular Formula	C₁₇H₂₂N₂O	Melting Point	25°C
MSDS	/	Flash Point	174.5ºC

Names

Name	doxylamine
Synonym	More Synonyms

doxylamine BiologicalActivity

Description	Doxylamine, a first generation antihistamine, is a histamine (H1) receptor antagonist. Doxylamine is also a local analgesic agent and effective hypnotic agent[1][2][3].
Related Catalog	Signaling Pathways >>Immunology/Inflammation >>Histamine ReceptorResearch Areas >>Inflammation/ImmunologySignaling Pathways >>GPCR/G Protein >>Histamine Receptor
Target	H1 Receptor
References	[1]. Sjöqvist F, Lasagna L. The hypnotic efficacy of doxylamine. Clin Pharmacol Ther. 1967;8(1):48-54. [2]. Hung CH, et al. Subcutaneous infiltration of doxylamine on cutaneous analgesia in rats. Pharmacol Rep. 2018;70(3):565-569. [3]. Jackson CD, Blackwell BN. Subchronic studies of doxylamine in B6C3F1 mice. Fundam Appl Toxicol. 1988;10(2):254-261.

Chemical & Physical Properties

Density	1.043 g/cm3
Boiling Point	364.9ºC at 760 mmHg
Melting Point	25°C
Molecular Formula	C₁₇H₂₂N₂O
Molecular Weight	270.37
Flash Point	174.5ºC
Exact Mass	270.17300
PSA	25.36000
LogP	2.92330
Index of Refraction	1.5486 (estimate)
InChIKey	HCFDWZZGGLSKEP-UHFFFAOYSA-N
SMILES	CN(C)CCOC(C)(c1ccccc1)c1ccccn1
Storage condition	-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: US9250000

CHEMICAL NAME :: Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl )-

CAS REGISTRY NUMBER :: 469-21-6

BEILSTEIN REFERENCE NO. :: 0230379

LAST UPDATED :: 199612

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C17-H22-N2-O

MOLECULAR WEIGHT :: 270.41

WISWESSER LINE NOTATION :: T6NJ BX1&R&O2N1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 440 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 470 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 460 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 62 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 49 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy)

REFERENCE :: DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

Synonyms

Dossilamina

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

Doxylaminum

doxilamina

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

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

Doxilminio

Recommended......