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N-Desmethyl Clomipramine structure, CAS 29854-14-6

N-Desmethyl Clomipramine

CAS Number29854-14-6

Synonyms

Molecular FormulaC18H22Cl2N2

Molecular Weight337.29

Purity

Density

Boiling Point466ºC at 760 mmHg

Melting Point204-206°C (dec.)

Flash Point

Appearanceliquid

EINECS200-659-6

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-3177440 Purity:
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Quality Control of [ 29854-14-6 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number29854-14-6
Catalog No.2A-3177440
Chinese Name去甲氯丙咪嗪盐酸
Molecular FormulaC18H22Cl2N2
Molecular Weight337.29
Boiling Point466ºC at 760 mmHg
Melting Point204-206°C (dec.)
Appearanceliquid
Storage Condition-20°C Freezer
ApplicationN-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is the major metabolite of N-demethylation of Clomipramine in plasma. Clomipramine is a tricyclic antidepressant.
EINECS200-659-6
PubChem ID329798895
MDL NumberMFCD00792880
SMILESClC1=CC2=C(C=C1)CCC3=C(C=CC=C3)N2CCCNC.[H]Cl
InChI1S/C18H21ClN2.ClH/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21;/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3;1H
InChI KeyKMDDAZOLOSKTKZ-UHFFFAOYSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
MSDSmsds/178019_1_29854_14_6.pdf
BioactivityN-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is a primary plasma N-desmethyl metabolite of Clomipramine. Clomipramine is a tricyclic antidepressant[1][2]. Related Catalog Research Areas >> Neurological Disease References [1]. Sioufi A, et al. Simultaneous determination of clomipramine and its N-desmethyl metabolite in human whole blood by capillary gas chromatography with mass-selective detection. J Chromatogr. 1988 Jun 24;428(1):71-80. [2]. Härtter S, et al. Non-competitive inhibition of clomipramine N-demethylation by fluvoxamine. Psychopharmacology (Berl). 1995 Jan;117(2):149-53. Chemical & Physical Properties Boiling Point 466ºC at 760 mmHg Melting Point 204-206°C (dec.) Molecular Formula C18H22Cl2N2 Molecular Weight 337.28700 Flash Point 235.6ºC Exact Mass 336.11600 PSA 15.27000 LogP 5.44410 Vapour Pressure 4.41E-09mmHg at 25°C InChIKey KMDDAZOLOSKTKZ-UHFFFAOYSA-N SMILES CNCCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl Storage condition -20°C Freezer
Use ofN-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is a primary plasma N-desmethyl metabolite of Clomipramine. Clomipramine is a tricyclic antidepressant[1][2]. Properties Articles25 Name 3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1- propanamine hydrochloride (1:1) N-Desmethyl Clomipramine Hydrochloride Biological Activity Description N-Desmethyl Clomipramine hydrochloride (Desmethylclomipramine hydrochloride) is a primary plasma N-desmethyl metabolite of Clomipramine. Clomipramine is a tricyclic antidepressant[1][2]. Related Catalog Research Areas >> Neurological Disease References [1]. Sioufi A, et al. Simultaneous determination of clomipramine and its N-desmethyl metabolite in human whole blood by capillary gas chromatography with mass-selective detection. J Chromatogr. 1988 Jun 24;428(1):71-80. [2]. Härtter S, et al. Non-competitive inhibition of clomipramine N-demethylation by fluvoxamine. Psychopharmacology (Berl). 1995 Jan;117(2):149-53. Chemical & Physical Properties Exact Mass 336.11600 PSA 15.27000 LogP 5.44410 InChIKey KMDDAZOLOSKTKZ-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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