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2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate structure

CAS No:
38455-99-1
Formula:
C31H36ClN3O5S
Chemical Name:
2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Synonyms:
T 82; 3,4,5-trimethoxy-benzoic acid 2-{4-[3-(3-chloro-phenothiazin-10-yl)-propyl]-piperazin-1-yl}-ethyl ester; 3,4,5-Trimethoxybenzoic acid,2-(4-(3-(3-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester; 2-{4-[3-(3-chloro-10h-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate;

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2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate Basic Attributes

Molecular Weight：

598.15300

Exact Mass：

597.2064201 g/mol

DSSTox ID：

DTXSID70191777

Characteristics

PSA：

89.01000

XLogP3：

5.77400

Density：

1.248g/cm3

Boiling Point：

694.7ºC

Flash Point：

374ºC

Refractive Index：

1.6

Drug Information

MeSH Entry Terms：

3-chloro-6-(4'-hydroxyethylpiperazinyl)-1,1-propylphenothiazine 3'',4'',45''-trimethoxybenzoic acid

Computed Properties

Molecular Weight:598.2
XLogP3:6.3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:597.2064201
Monoisotopic Mass:597.2064201
Topological Polar Surface Area:89
Heavy Atom Count:41
Complexity:807
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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