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Cilazapril monohydrate 100mg

CAT: 0628-A11747-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A11747-100Size:100 mg
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CAS Number
92077-78-6

Chemical Information

Cilazapril Monohydrate

Cilazapril monohydrate is a hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a prodrug. It contains a cilazapril.

CAS Number92077-78-6
PubChem CID56329
IUPAC Name(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid;hydrate
Molecular FormulaC22H33N3O6
Molecular Weight435.5
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity608
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O.O
InChI
InChI=1S/C22H31N3O5.H2O/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);1H2/t17-,18-,19-;/m0./s1
InChIKey
JQRZBPFGBRIWSN-YOTVLOEGSA-N
Chemical Structure
2D Structure
2D structure of Cilazapril Monohydrate
CAS: 92077-78-6
CID: 56329
Formula: C22H33N3O6
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass435.23693578
Monoisotopic Mass435.23693578
Topological Polar Surface Area100 Ų
Heavy Atom Count31
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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B2139-25Cilazapril monohydrate
HY-A0043A-01Cilazapril (monohydrate)
HY-A0043AR-01Cilazapril (monohydrate) (Standard)
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