CAS 28797-61-7|CAS 29868-97-1|pirenzepine dihydrochloride|2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one dihydrochloride|5,11-Dihyd...

General Information

Structure

Molecular Formula

C₁₉H₂₃Cl₂N₅O₂

Molecular Mass

424.32422

Exact Mass

423.12288036

Charge

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

InChIKey

FFNMBRCFFADNAO-UHFFFAOYSA-N

Canonic Smiles

CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2.Cl.Cl

Isomeric Smiles

Cl.Cl.CN1CCN(CC1)CC(=O)n1c2c(cccc2)c(=O)[nH]c2cccnc12

Calculated Properties

JChem

Acid pKa

9.574185

H Acceptors

H Donor

LogD (pH = 5.5)

-1.1168518

LogD (pH = 7.4)

0.55378336

Log P

0.85245126

Molar Refractivity

100.9257

Polarizability

37.71037

Polar Surface Area

68.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

pirenzepine dihydrochloride

IUPAC name

2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one dihydrochloride 2-[2-(4-methylpiperazin-1-yl)acetyl]-2,4,9-triazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one dihydrochloride

Synonyms

5,11-Dihydro-11-[(4-methyl-1-piperazinyl)-acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-onePIRENZEPINE5,11-Dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloridePirenzepine dihydrochloride

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem SID

MDL Number

PubChem CID