CAS No.562-10-7,Doxylamine succinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	562-10-7
Name:	Doxylamine succinate
Article Data:	3

Formula:	C₁₇H₂₂N₂O^.C₄H₆O₄
Molecular Weight:	388.464
Synonyms:	2-[[.alpha.-(2-Dimethylamino)ethoxy]-.alpha.-methylbenzyl]pyridine succinate;2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate (1:1);butanedioic acid; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-yl-ethoxy)ethanamine;Doxylamine succinate (1:1);Unisom;Phenyl2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether succinate;(Dimethylamino)ethoxy-methyl-benzyl-pyridine succinate;Pyridine, 2-[.alpha.-[2- (dimethylamino)ethoxy]-.alpha.-methylbenzyl]-, succinate (1:1);Doxylamine hydrogen succinate;Gittalun;Hoggar N;Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl)-, succinate (1:1);2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate;Butanedioic acid, compd. with N, N-dimethyl-2-[1-phenyl-1- (2-pyridinyl)ethoxy]ethanamine (1:1);
EINECS:	209-228-7
Density:	1.043 g/cm³
Melting Point:	103 - 108oC
Boiling Point:	364.9 °C at 760 mmHg
Flash Point:	174.5 °C
Appearance:	white to light cream powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37
PSA:	99.96000
LogP:	2.85910

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Specification

The Doxylamine succinate, with the CAS registry number 562-10-7, is also known as 2-Dimethylaminoethoxyphenylmethyl-2-picoline succinate (1:1). It belongs to the product categories of Antagonists; Histaminergics; Neurotransmitters. Its EINECS registry number is 209-228-7. This chemical's molecular formula is C₂₁H₂₈N₂O₅ and molecular weight is 388.46. Its IUPAC name is called butanedioic acid; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine. This chemical's classification codes are Antihistaminic; Drug / Therapeutic Agent; Histamine Agents; Histamine Antagonists; Histamine H1 antagonists; Mutation data; Neurotransmitter Agents; Reproductive Effect; Tumor data.

Physical properties of Doxylamine succinate: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): -0.38; (3)ACD/LogD (pH 7.4): 1.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2.05; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 23.74; (8)#H bond acceptors: 3; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 174.5 °C; (12)Enthalpy of Vaporization: 61.11 kJ/mol; (13)Boiling Point: 364.9 °C at 760 mmHg; (14)Vapour Pressure: 1.63E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
(3)InChIKey: KBAUFVUYFNWQFM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	62mg/kg (62mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
mouse	LD50	oral	470mg/kg (470mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
mouse	LD50	subcutaneous	460mg/kg (460mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
rabbit	LD50	intravenous	49mg/kg (49mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
rabbit	LD50	oral	250mg/kg (250mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
rat	LD50	subcutaneous	440mg/kg (440mg/kg)		Journal of Laboratory and Clinical Medicine. Vol. 33, Pg. 325, 1948.
rat	LDLo	oral	600mg/kg (600mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FOOD INTAKE (ANIMAL)	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 37, Pg. 311, 1948.