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N-Nitroso Perindopril

CAT: 0572-TRC-P297650-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P297650-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3036581-82-2
Synonyms
(2S,3aS,7aS)-1-(N-((S)-1-Ethoxy-1-oxopentan-2-yl)-N-nitroso-L-alanyl)octahydro-1H-indole-2-carboxylic Acid
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
CCOC([C@@H](N([C@H](C(N1[C@@]2([C@]([H])(C[C@H]1C(O)=O)CCCC2)[H])=O)C)N=O)CCC)=O
Molecular Formula
C19H31N3O6
Molecular Weight
397.47
InChI
InChI=1S/C19H31N3O6/c1-4-8-15(19(26)28-5-2)22(20-27)12(3)17(23)21-14-10-7-6-9-13(14)11-16(21)18(24)25/h12-16H,4-11H2,1-3H3,(H,24,25)/t12-,13-,14-,15-,16-/m0/s1
Additionnal Information
IUPAC name: (2S,3aS,7aS)-1-(N-((S)-1-ethoxy-1-oxopentan-2-yl)-N-nitroso-L-alanyl)octahydro-1H-indole-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

N-nitroso-perindopril
CAS Number3036581-82-2
PubChem CID168009797
IUPAC Name(2S,3aS,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]-nitrosoamino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Molecular FormulaC19H31N3O6
Molecular Weight397.5
XLogP3.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity598
SMILES
CCC[C@@H](C(=O)OCC)N([C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)N=O
InChI
InChI=1S/C19H31N3O6/c1-4-8-15(19(26)28-5-2)22(20-27)12(3)17(23)21-14-10-7-6-9-13(14)11-16(21)18(24)25/h12-16H,4-11H2,1-3H3,(H,24,25)/t12-,13-,14-,15-,16-/m0/s1
InChIKey
QYBDIWSWWRDECP-QXKUPLGCSA-N
Chemical Structure
2D Structure
2D structure of N-nitroso-perindopril
CAS: 3036581-82-2
CID: 168009797
Formula: C19H31N3O6
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass397.22128572
Monoisotopic Mass397.22128572
Topological Polar Surface Area117 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
RM-P180492-01N-Nitroso-Perindopril
CS-O-46005N-Nitroso Perindopril
CS-O-38900N-Nitroso Perindopril Erbumine
CS-O-57427N-Nitroso Perindopril-d4
CS-O-45990Nitroso Perindopril EP impurity N
CS-O-63782N-Nitroso-rac-Perindopril-d4
CS-O-45673N-Nitroso Perindopril Erbumine D4
CS-O-46005-1.5MLN-nitroso-perindopril-100 PPM in Acetonitrile
CS-O-45984Nitroso Perindopril EP impurity A
RM-P280518-01Perindopril Nitroso Impurity 118

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