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| CAS No.: | 29110-48-3 |
|---|---|
| Name: | GUANFACINE HCL |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H9 Cl2 N3 O . Cl H |
| Molecular Weight: | 282.557 |
| Synonyms: | Benzeneacetamide,N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride (9CI);2,6-Dichlorophenylacetylguanidine hydrochloride;BS 100-141;Estulic;Guanfacine hydrochloride;LON 798;N-Amidino-2-(2,6-dichlorophenyl)acetamidehydrochloride;SPD 503;Tenex;Tenex (pharmaceutical);[(2,6-Dichlorophenyl)acetyl]guanidine monohydrochloride; |
| EINECS: | 249-443-3 |
| Melting Point: | 215-217℃ |
| Safety: | Poison by ingestion, subcutaneous and intravenous routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 78.97000 |
| LogP: | 3.53850 |
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methyl 2-(2,6-dichlorophenyl)acetate
- 50-01-1
guanidine hydrochloride
- 29110-48-3
guanfacine hydrochloride
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 30h; | 15% |
- 29110-47-2
guanfacine
- 29110-48-3
guanfacine hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water for 0.5h; pH=1; | 32.6 g |
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In N,N-dimethyl-formamide at 22℃; | 84% |
- 24424-99-5
di-tert-butyl dicarbonate
- 29110-48-3
guanfacine hydrochloride
- 1364788-99-7
guanfacine tert-butyl carbamate
| Conditions | Yield |
|---|---|
| With triethylamine In N,N-dimethyl-formamide at 22℃; | 78% |
- 1364788-77-1
C23H27NO6Si
- 29110-48-3
guanfacine hydrochloride
- 1364788-79-3
guanfacine [2-(tert-butyl-diphenyl-silanyloxy)-ethyl] carbamate
| Conditions | Yield |
|---|---|
| Stage #1: guanfacine hydrochloride With 4-methyl-morpholine In N,N-dimethyl-formamide at 22℃; for 0.166667h; Stage #2: C23H27NO6Si In N,N-dimethyl-formamide at 22℃; | 75% |
- 1364788-82-8
C24H29NO6Si
- 29110-48-3
guanfacine hydrochloride
- 1364788-84-0
guanfacine [3-(tert-butyl-diphenyl-silanyloxy)-propyl]carbamate
| Conditions | Yield |
|---|---|
| Stage #1: guanfacine hydrochloride With 4-methyl-morpholine In N,N-dimethyl-formamide at 22℃; for 0.166667h; Stage #2: C24H29NO6Si In N,N-dimethyl-formamide at 22℃; | 61% |
- 20412-38-8
neopentyl chloroformate
- 29110-48-3
guanfacine hydrochloride
- 1364788-31-7
1-{N'-[2-(2,6-dichloro-phenyl)-acetyl]-guanidinocarbonyloxy}-2,2-dimethylpropane hydrochloride
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In tetrahydrofuran at 22℃; Inert atmosphere; | 34% |
- 959425-11-7
cyclopropylmethyl 2,5-dioxopyrrolidin-1-yl carbonate
- 29110-48-3
guanfacine hydrochloride
- 1364788-87-3
{N'-[2-(2,6-dichloro-phenyl)acetyl]-guanidino-carbonyloxy}methylcyclopropane
| Conditions | Yield |
|---|---|
| Stage #1: guanfacine hydrochloride With 4-methyl-morpholine In N,N-dimethyl-formamide at 22℃; for 0.166667h; Stage #2: cyclopropylmethyl 2,5-dioxopyrrolidin-1-yl carbonate In N,N-dimethyl-formamide at 22℃; | 33% |
- 29110-48-3
guanfacine hydrochloride
- 543-27-1
isobutyl chloroformate
- 1364788-29-3
1-{N'-[2-(2,6-dichloro-phenyl)-acetyl]-guanidinocarbonyloxy}-2-methylpropane hydrochloride
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In tetrahydrofuran at 22℃; Inert atmosphere; | 29% |
- 14602-86-9
(1R,2S,5R)-menthyl chloroformate
- 29110-48-3
guanfacine hydrochloride
- 1364788-66-8
1-(R)-{N'-[2-(2,6-dichloro-phenyl)-acetyl]-guanidinocarbonyloxy}-2-(S)-isopropyl-5-(R)-methyl-cyclohexane hydrochloride
| Conditions | Yield |
|---|---|
| With 4-methyl-morpholine In tetrahydrofuran at 22℃; Inert atmosphere; | 28% |
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Specification
The Guanfacine hydrochloride, with the CAS registry number 29110-48-3,is also known as N-(Aminoiminomethyl)-2,6-dichlorophenylacetamide monohydrochloride. It belongs to the product categories of Amines;Intermediates & Fine Chemicals;Pharmaceuticals;Adrenoceptor. This chemical's molecular formula is C9H9Cl2N3O.HCl and molecular weight is 282.55.Its EINECS number is 249-443-3. What's more,Its systematic name is Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-,monohydrochloride. It is a centrally acting antihypertensive agent. The drug lowers both systolic and diastolic blood pressure by activating the central nervous system alpha-2 adrenoreceptors, which results in reduced sympathetic outflow leading to reduced vascular tone. Its adverse reactions include dry mouth, sedation, and constipation.
Physical properties about Guanfacine hydrochloride are:
(1)ACD/LogP: 1.606; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.40; (4)ACD/LogD (pH 7.4): 1.60; (5)ACD/BCF (pH 5.5): 6.08; (6)ACD/BCF (pH 7.4): 9.71; (7)ACD/KOC (pH 5.5): 110.61; (8)ACD/KOC (pH 7.4): 176.75; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Flash Point: 210.8 °C; (13)Enthalpy of Vaporization: 67.95 kJ/mol ; (14)Boiling Point: 424.9 °C at 760 mmHg; (15)Vapour Pressure: 2E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:Clc1cccc(Cl)c1CC(=O)\N=C(/N)N.Cl;
(2)Std. InChI:InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H;
(3)Std. InChIKey:DGFYECXYGUIODH-UHFFFAOYSA-N.
The toxicity data of Guanfacine hydrochloride are as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 25mg/kg (25mg/kg) | BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4511, 1980. |
| mouse | LD50 | oral | 15300ug/kg (15.3mg/kg) | Drugs in Japan Vol. -, Pg. 372, 1995. | |
| mouse | LD50 | subcutaneous | 46mg/kg (46mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: ATAXIA | Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4511, 1980. |
| rat | LD50 | intravenous | 5800ug/kg (5.8mg/kg) | BEHAVIORAL: ATAXIA SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4511, 1980. |
| rat | LD50 | oral | 142mg/kg (142mg/kg) | Drugs in Japan Vol. -, Pg. 372, 1995. | |
| rat | LD50 | subcutaneous | 114mg/kg (114mg/kg) | BEHAVIORAL: ATAXIA SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Kiso to Rinsho. Clinical Report. Vol. 14, Pg. 4511, 1980. |