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Chemistry

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Also known as: Chebi:32014, Akos015896140
Molecular Formula
C19H23Cl2N5O2
Molecular Weight
424.3  g/mol
InChI Key
FFNMBRCFFADNAO-UHFFFAOYSA-N

Pirenzepine Hydrochloride
1 2D Structure

Pirenzepine Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
hydron;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dichloride
2.1.2 InChI
InChI=1S/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H
2.1.3 InChI Key
FFNMBRCFFADNAO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
[H+].[H+].CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.[Cl-].[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chebi:32014

2. Akos015896140

2.3 Create Date
2008-09-03
3 Chemical and Physical Properties
Molecular Weight 424.3 g/mol
Molecular Formula C19H23Cl2N5O2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass423.1228804 g/mol
Monoisotopic Mass423.1228804 g/mol
Topological Polar Surface Area68.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5

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