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13461-01-3 molecular structure
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1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one

ChemBase ID: 1392
Molecular Formular: C19H22N2OS
Molecular Mass: 326.45578
Monoisotopic Mass: 326.14528433
SMILES and InChIs

SMILES:
S1c2c(N(CC(N(C)C)C)c3c1cccc3)cc(cc2)C(=O)C
Canonical SMILES:
CC(N(C)C)CN1c2cc(ccc2Sc2c1cccc2)C(=O)C
InChI:
InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3
InChIKey:
XLOQNFNTQIRSOX-UHFFFAOYSA-N

Cite this record

CBID:1392 http://www.chembase.cn/molecule-1392.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{10-[2-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one
IUPAC Traditional name
@aceprometazine
Brand Name
Mepronizine
Synonyms
10-(2-(Dimethylamino)propyl)phenothiazin-2-yl methyl ketone
Aceprometazina [inn-spanish]
Aceprometazinum [inn-latin]
Acepromethazine
Aceprometazine
CAS Number
13461-01-3
PubChem SID
160964852
46506646
PubChem CID
26035

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB01615 external link
PubChem 26035 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 16.055481  H Acceptors
H Donor LogD (pH = 5.5) 1.1084597 
LogD (pH = 7.4) 2.8789206  Log P 3.8452184 
Molar Refractivity 98.9077 cm3 Polarizability 37.856804 Å3
Polar Surface Area 23.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 4.35  LOG S -4.43 
Solubility (Water) 1.22e-02 g/l 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB01615 external link
Item Information
Drug Groups approved
Description Aceprometazine (INN) is a prescription drug with neuroleptic and anti-histamine properties. It is not widely prescribed. It may be used in combination with meprobamate for the treatment of sleep disorders. This combination is available in France under the trade name Mepronizine. [Wikipedia]
Indication Aceprometazine is often used in combination with meprobamate for the treatment of sleep disorders.
Pharmacology Aceprometazine is a drug with neuroleptic and anti-histamine properties. It is not widely prescribed.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Rapidly absorbed following oral administration.
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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