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Technical details about Metopimazine Mesylate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Metopimazine mesylate, Jh694x5yfy, Schembl22645258, Metopimazine methanesulfonate, 1-[3-[2-(methylsulfonyl)-10h-phenothiazin-10-yl]propyl]-4-piperidinecarboxamide methanesulfonate, 2555328-34-0
Molecular Formula
C23H31N3O6S3
Molecular Weight
541.7  g/mol
InChI Key
QJTAWVPBCFAKBU-UHFFFAOYSA-N
FDA UNII
JH694X5YFY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methanesulfonic acid;1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
2.1.2 InChI
InChI=1S/C22H27N3O3S2.CH4O3S/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26;1-5(2,3)4/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26);1H3,(H,2,3,4)
2.1.3 InChI Key
QJTAWVPBCFAKBU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)C(=O)N.CS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
JH694X5YFY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Metopimazine Mesylate

2. Jh694x5yfy

3. Schembl22645258

4. Metopimazine Methanesulfonate

5. 1-[3-[2-(methylsulfonyl)-10h-phenothiazin-10-yl]propyl]-4-piperidinecarboxamide Methanesulfonate

6. 2555328-34-0

7. 4-piperidinecarboxamide, 1-[3-[2-(methylsulfonyl)-10h-phenothiazin-10-yl]propyl]-, Compd. With Methanesulfonate (1:1)

2.4 Create Date
2020-12-19
3 Chemical and Physical Properties
Molecular Weight 541.7 g/mol
Molecular Formula C23H31N3O6S3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area180
Heavy Atom Count35
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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