Home > Compound List > Compound details
29854-14-6 molecular structure
click picture or here to close

(3-{14-chloro-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)(methyl)amine hydrochloride

ChemBase ID: 130573
Molecular Formular: C18H22Cl2N2
Molecular Mass: 337.28668
Monoisotopic Mass: 336.11600407
SMILES and InChIs

SMILES:
CNCCCN1c2ccccc2CCc2c1cc(cc2)Cl.Cl
Canonical SMILES:
CNCCCN1c2ccccc2CCc2c1cc(Cl)cc2.Cl
InChI:
InChI=1S/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
InChIKey:
KMDDAZOLOSKTKZ-UHFFFAOYSA-N

Cite this record

CBID:130573 http://www.chembase.cn/molecule-130573.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-{14-chloro-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)(methyl)amine hydrochloride
(3-{5-chloro-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine hydrochloride
IUPAC Traditional name
(3-{14-chloro-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)(methyl)amine hydrochloride
(3-{5-chloro-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine hydrochloride
Synonyms
Norclomipramine hydrochloride
3-Chloro-10,11-dihydro-N-methyl-5H-dibenz[b,f]azepine-5-propanamine Hydrochloride
Chlordesipramine Hydrochloride
Demethylchlorimipramine Hydrochloride
Norchlorimipramine Hydrochloride
Norclomipramine Hydrochloride
N-Desmethyl Clomipramine Hydrochloride
N-去甲氯丙咪嗪
去甲氯米帕明 盐酸盐
CAS Number
29854-14-6
303-48-0
MDL Number
MFCD00792880
PubChem SID
24897477
162224851
PubChem CID
16219718

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16219718 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2799104  LogD (pH = 7.4) 1.9725525 
Log P 4.4995656  Molar Refractivity 90.1157 cm3
Polarizability 34.625492 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Water expand Show data source
Apperance
white powder expand Show data source
White Solid expand Show data source
Melting Point
204-206°C (dec.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
~99% (TLC) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - N1280 external link
Biochem/physiol Actions
三环抗抑郁剂;氯米帕明的活性代谢物,优先阻断去甲肾上腺素转运体。
包装
10, 25 mg in poly bottle
Toronto Research Chemicals - D291580 external link
A metabolite of Clomipramine.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • McTavish, D., et al.: Drugs, 39, 136 (1990)
  • • Chauret, N., et al.: Drug Metab. Dispos., 25, 1130 (1990)
  • • Gex-Fabry, M., et al.: Ther. Drug Monit., 22, 701 (1990)
  • • Herrera, D., et al.: J. Clin. Pharmacol., 40, 1488 (1990)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle