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Zofenoprilat-NES

CAT: 1596-AR-Z01107-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-Z01107-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217526-22-1
Synonyms
(2R,4S) -1- ((2S) -3- ((1-ethyl-2,5-dioxopyrrolidin-3-yl) thio) -2-methylpropanoyl) -4- (phenylthio) pyrrolidine-2-carboxylic acid
Molecular Formula
C21H26N2O5S2
Molecular Weight
450.58
API Name
Zofenopril

Chemical Information

Zofenoprilat N-Ethyl Succinimide
CAS Number1217526-22-1
PubChem CID46783276
IUPAC Name(2R,4S)-1-[(2S)-3-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
Molecular FormulaC21H26N2O5S2
Molecular Weight450.6
XLogP2.3
Topological Polar Surface Area146
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity682
SMILES
CCN1C(=O)CC(C1=O)SC[C@@H](C)C(=O)N2C[C@H](C[C@@H]2C(=O)O)SC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O5S2/c1-3-22-18(24)10-17(20(22)26)29-12-13(2)19(25)23-11-15(9-16(23)21(27)28)30-14-7-5-4-6-8-14/h4-8,13,15-17H,3,9-12H2,1-2H3,(H,27,28)/t13-,15+,16-,17?/m1/s1
InChIKey
LBNKOWANPJZWMF-FGKSTEJMSA-N
Chemical Structure
2D Structure
2D structure of Zofenoprilat N-Ethyl Succinimide
CAS: 1217526-22-1
CID: 46783276
Formula: C21H26N2O5S2
MW: 450.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass450.12831428
Monoisotopic Mass450.12831428
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-144246S-01Zofenoprilat-NES-d5
HY-133829-01Zofenoprilat
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HY-129500Zofenoprilat (arginine)
sc-220411Zofenoprilat Sodium Salt
TRC-Z587050-1MGZofenoprilat Sodium Salt (90%)
CS-T-87637Zofenoprilat N-Ethyl Succinimide
022980Zofenoprilat Acyl-β-D-glucuronide
sc-220413Zofenoprilat-d5 N-Ethyl Succinimide

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