Cilazapril

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Systematic / IUPAC Name: (1S,9S)-9-{[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid

ID: Reference1979

Other Names: Vascace;
Cilazil;
Inibace;
Cilazapril anhydrous;
6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}octahydro-10-oxo-, (1S,9S)- ; more

Formula: C22H31N3O5

Class: Therapeutics/Prescription Drugs

Spectral Data

Cilazapril mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/13/2015 1:08:00 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
InChI Key HHHKFGXWKKUNCY-FHWLQOOXSA-N
Canonical SMILES CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O
CAS 92077786
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Other Names Vascace;
Cilazil;
Inibace;
Cilazapril anhydrous;
6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}octahydro-10-oxo-, (1S,9S)-;
6H-Pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid, 9-{[(1-(ethoxycarbonyl)-3-phenylpropyl]amino}octahydro-10-oxo-, (1S-(1α,9α(R*)))-;
(1S,9S)-9-[(S)-1-Ethoxycarbonyl-3-phenylpropylamino]-10-oxoperhydropyridazino[1,2-a][1,2]diazepine-1-carboxylic acid

In Other Databases

ChEMBL CHEMBL515606
Wikipedia Cilazapril
ChemSpider 2649; 21235234; 21239588
PubChem 56330
KEGG D07699
ChemIDPlus 088768405
HMDb HMDB15433