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53-60-1 molecular structure
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dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride

ChemBase ID: 104553
Molecular Formular: C17H21ClN2S
Molecular Mass: 320.88004
Monoisotopic Mass: 320.11139736
SMILES and InChIs

SMILES:
Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12
Canonical SMILES:
CN(CCCN1c2ccccc2Sc2c1cccc2)C.Cl
InChI:
InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
InChIKey:
JIVSXRLRGOICGA-UHFFFAOYSA-N

Cite this record

CBID:104553 http://www.chembase.cn/molecule-104553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride
IUPAC Traditional name
promazine hydrochloride
Synonyms
Promazine hydrochloride
10-(3-Dimethylaminopropyl)phenothiazine hydrochloride
PROMAZINE
N,N-Dimethyl-10H-phenothiazine-10-propanamine Hydrochloride
10-(γ-Dimethylamino-n-propyl)phenothiazine Hydrochloride
Esparinal
Liranol
Prolactyl
Promwill
Propazin
Propazine
Sparine
Talofen
Promazine Hydrochloride
N,N-Dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine hydrochloride
10-(3-二甲基氨丙基)吩噻嗪 盐酸盐
普马嗪 盐酸盐
CAS Number
53-60-1
EC Number
200-179-7
MDL Number
MFCD00058535
Beilstein Number
3753230
PubChem SID
162092022
24278645
24870361
PubChem CID
5887

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6436315  LogD (pH = 7.4) 2.1355963 
Log P 3.9309556  Molar Refractivity 88.9515 cm3
Polarizability 34.1545 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
174-176°C expand Show data source
Storage Condition
Refrigerator expand Show data source
RTECS
SO8575000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-43 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-H317 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... DRD2(1813) expand Show data source
Purity
95+% expand Show data source
Grade
VETRANAL™, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C17H20N2S · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02156383 external link
(10-[3-(Dimethylamino)propyl]-phenothiazine)
Hydrochloride
Sigma Aldrich - P6656 external link
Biochem/physiol Actions
D2 dopamine receptor antagonist; phenothiazine antipsychotic.
Sigma Aldrich - 46674 external link
Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC
Toronto Research Chemicals - P756300 external link
Antipsychotic. Tranquilizer.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Banci, L., et al.: Biochemistry, 38, 3205 (1999)
  • • Lawal, O., et al.: Food Chemi., 87, 205 (1999)
  • • Shleev, S., et al.: Bioorg. Chem., 35, 35 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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