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Chemistry

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Also known as: Akos025402009, Ac-28140
Molecular Formula
C20H25NO6S
Molecular Weight
407.5  g/mol
InChI Key
MMIAUUPWJOPREH-NBLXOJGSSA-N

Paroxetine Mesylate
1 2D Structure

Paroxetine Mesylate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-phenylpiperidine;methanesulfonic acid
2.1.2 InChI
InChI=1S/C19H21NO3.CH4O3S/c1-2-4-14(5-3-1)17-8-9-20-11-15(17)12-21-16-6-7-18-19(10-16)23-13-22-18;1-5(2,3)4/h1-7,10,15,17,20H,8-9,11-13H2;1H3,(H,2,3,4)/t15-,17-;/m0./s1
2.1.3 InChI Key
MMIAUUPWJOPREH-NBLXOJGSSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)O.C1CNCC(C1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
2.1.5 Isomeric SMILES
CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Akos025402009

2. Ac-28140

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 407.5 g/mol
Molecular Formula C20H25NO6S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass407.14025869 g/mol
Monoisotopic Mass407.14025869 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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19-Jan-2021
20-Oct-2023
KGS
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DRUG PRODUCT COMPOSITIONS

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DOSAGE - CAPSULE;ORAL - EQ 7.5MG BASE

USFDA APPLICATION NUMBER - 204516

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DOSAGE - TABLET;ORAL - EQ 10MG BASE

USFDA APPLICATION NUMBER - 21299

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DOSAGE - TABLET;ORAL - EQ 20MG BASE

USFDA APPLICATION NUMBER - 21299

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DOSAGE - TABLET;ORAL - EQ 30MG BASE

USFDA APPLICATION NUMBER - 21299

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DOSAGE - TABLET;ORAL - EQ 40MG BASE

USFDA APPLICATION NUMBER - 21299

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