CAS 17321-77-6|Clomipramine HCl

Introduction：Basic information about CAS 17321-77-6|Clomipramine HCl, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Clomipramine HCl BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles41
8. Synonyms

Common Name	Clomipramine HCl
CAS Number	17321-77-6	Molecular Weight	351.313
Density	/	Boiling Point	434.2ºC at 760 mmHg
Molecular Formula	C₁₉H₂₄Cl₂N₂	Melting Point	189-190°C
MSDS	ChineseUSA	Flash Point	216.4ºC
Symbol	GHS07, GHS08, GHS09	Signal Word	Warning

Names

Name	clomipramine hydrochloride
Synonym	More Synonyms

Clomipramine HCl BiologicalActivity

Description	Clomipramine HCl is a serotonin transporter (SERT), norepinephrine transporter (NET) dopamine transporter (DAT) blocker with Ki of 0.14, 54 and 3 nM, respectively. Target: 5-HT ReceptorClomipramine hydrochloride (Anafranil) is a hydrochloride salt of clomipramine which is a serotonin transporter (SERT), norepinephrine transporter (NET) dopamine transporter (DAT) blocker with Ki of 0.14, 54 and 3 nM, respectively. Clomipramine hydrochloride (Anafranil) is a tricyclic antidepressant. Clomipramine hydrochloride (Anafranil) is a norepinephrine-reuptake inhibitor and is an antiobsessional drug. Clomipramine hydrochloride (Anafranil) is an antagonist/inverse agonist at the following receptors: D2 receptor (Ki = 162 nM), D3 receptor (Ki = 30 nM), α1-adrenergic receptor (Ki = 3.2 nM), α2-adrenergic receptor (Ki = 525 nM), H1 receptor (Ki = 31 nM), mACh receptors (Ki = 37 nM), 5-HT2A receptor (Ki = 36 nM), 5-HT2C receptor (Ki = 65 nM), 5-HT3 receptor (Ki = 85 nM), 5-HT6 receptor (Ki = 54 nM), 5-HT7 receptor (Ki = 127 nM), D1 receptor (Ki = 219 nM) [1-3].
Related Catalog	Signaling Pathways >>GPCR/G Protein >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Serotonin TransporterResearch Areas >>Neurological Disease
References	[1]. McTavish, D. and P. Benfield, Clomipramine. An overview of its pharmacological properties and a review of its therapeutic use in obsessive compulsive disorder and panic disorder. Drugs, 1990. 39(1): p. 136-53. [2]. Ortiz, J. and F. Artigas, Effects of monoamine uptake inhibitors on extracellular and platelet 5-hydroxytryptamine in rat blood: different effects of clomipramine and fluoxetine. Br J Pharmacol, 1992. 105(4): p. 941-6. [3]. Owens, M.J., et al., Neurotransmitter receptor and transporter binding profile of antidepressants and their metabolites. J Pharmacol Exp Ther, 1997. 283(3): p. 1305-22.

Description

Clomipramine HCl is a serotonin transporter (SERT), norepinephrine transporter (NET) dopamine transporter (DAT) blocker with Ki of 0.14, 54 and 3 nM, respectively. Target: 5-HT ReceptorClomipramine hydrochloride (Anafranil) is a hydrochloride salt of clomipramine which is a serotonin transporter (SERT), norepinephrine transporter (NET) dopamine transporter (DAT) blocker with Ki of 0.14, 54 and 3 nM, respectively. Clomipramine hydrochloride (Anafranil) is a tricyclic antidepressant. Clomipramine hydrochloride (Anafranil) is a norepinephrine-reuptake inhibitor and is an antiobsessional drug. Clomipramine hydrochloride (Anafranil) is an antagonist/inverse agonist at the following receptors: D2 receptor (Ki = 162 nM), D3 receptor (Ki = 30 nM), α1-adrenergic receptor (Ki = 3.2 nM), α2-adrenergic receptor (Ki = 525 nM), H1 receptor (Ki = 31 nM), mACh receptors (Ki = 37 nM), 5-HT2A receptor (Ki = 36 nM), 5-HT2C receptor (Ki = 65 nM), 5-HT3 receptor (Ki = 85 nM), 5-HT6 receptor (Ki = 54 nM), 5-HT7 receptor (Ki = 127 nM), D1 receptor (Ki = 219 nM) [1-3].

Related Catalog

Signaling Pathways >>GPCR/G Protein >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Dopamine ReceptorSignaling Pathways >>Neuronal Signaling >>Serotonin TransporterResearch Areas >>Neurological Disease

References

[1]. McTavish, D. and P. Benfield, Clomipramine. An overview of its pharmacological properties and a review of its therapeutic use in obsessive compulsive disorder and panic disorder. Drugs, 1990. 39(1): p. 136-53.

[2]. Ortiz, J. and F. Artigas, Effects of monoamine uptake inhibitors on extracellular and platelet 5-hydroxytryptamine in rat blood: different effects of clomipramine and fluoxetine. Br J Pharmacol, 1992. 105(4): p. 941-6.

[3]. Owens, M.J., et al., Neurotransmitter receptor and transporter binding profile of antidepressants and their metabolites. J Pharmacol Exp Ther, 1997. 283(3): p. 1305-22.

Chemical & Physical Properties

Boiling Point	434.2ºC at 760 mmHg
Melting Point	189-190°C
Molecular Formula	C₁₉H₂₄Cl₂N₂
Molecular Weight	351.313
Flash Point	216.4ºC
Exact Mass	350.131653
PSA	6.48000
LogP	5.39540
Vapour Pressure	9.63E-08mmHg at 25°C
InChIKey	WIMWMKZEIBHDTH-UHFFFAOYSA-N
SMILES	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl
Water Solubility	H2O: 25 mg/mL

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HN9055000

CHEMICAL NAME :: 5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-, monohydrochloride

CAS REGISTRY NUMBER :: 17321-77-6

LAST UPDATED :: 199610

DATA ITEMS CITED :: 22

MOLECULAR FORMULA :: C19-H23-Cl-N2.Cl-H

MOLECULAR WEIGHT :: 351.35

WISWESSER LINE NOTATION :: T C676 BN&T&J B3N1&1 EG &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 360 mg/kg/13W-I

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 9 mg/kg/9D-I

TOXIC EFFECTS :: Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - ataxia Behavioral - muscle contraction or spasticity

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 135 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 26 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 470 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 22 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 383 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 32 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 792 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 217 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2600 mg/kg/30D-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7800 mg/kg/26W-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Liver - fatty liver degeneration

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1040 mg/kg/30D-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 130 mg/kg

SEX/DURATION :: female 10-22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 110 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :: Insect - Drosophila melanogaster

DOSE/DURATION :: 200 mg

REFERENCE :: SOGEBZ Soviet Genetics. English translation of GNKAA5. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.2- 1966- Volume(issue)/page/year: 7,1042,1971

Safety Information

Symbol	GHS07, GHS08, GHS09
Signal Word	Warning
Hazard Statements	H302-H361d-H410
Precautionary Statements	P280-P301 + P312 + P330
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn
Risk Phrases	R20/21/22
Safety Phrases	S36
RIDADR	3249
WGK Germany	3
RTECS	HN9055000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles41

Salt effects in electromembrane extraction.

J. Chromatogr. A. 1347 , 1-7, (2014)

Electromembrane extraction (EME) was performed on samples containing substantial amounts of NaCl to investigate how the presence of salts affected the recovery, repeatability, and membrane current in ...

A qualitative method for prediction of amine oxidation in methanol and water.

J. Pharm. Sci. 104(4) , 1409-20, (2015)

We have developed a predictive method, based on quantum chemical calculations, that qualitatively predicts N-oxidation by hydrogen peroxides in drug structures. The method uses linear correlations of ...

Relationship between noradrenaline release in the locus coeruleus and antiallodynic efficacy of analgesics in rats with painful diabetic neuropathy.

Life Sci. 92(23) , 1138-44, (2013)

In animal models of neuropathic pain, the noradrenergic descending pain inhibitory pathways from the locus coeruleus (LC) may be suppressed. However, no study has investigated the correlation between ...

Synonyms

3-(3-Chlor-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-aminhydrochlorid

3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azépin-5-yl)-N,N-diméthylpropan-1-amine chlorhydrate

3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine Monohydrochloride

MFCD00069234

3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine,hydrochloride

3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride (1:1)

5H-dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, monohydrochloride

EINECS 241-344-3

3-Chloro-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine Monohydrochloride

5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1)

Clomipramine hydrochloride

3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine hydrochloride (1:1)

3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride

clomipramine hcl

Clomipramine (hydrochloride)

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