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Racecadotril EP Impurity H

CAT: 1299-RM-R010332-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R010332-01Size:10 mg
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CAS Number
141437-88-9
Synonyms
Dibenzyl 2,2'- ((3,3'-disulfanediylbis (2-benzylpropanoyl) ) bis (azanediyl) ) diacetate
Molecular Formula
C38H40N2O6S2
Molecular Weight
684.88
Target Alternative Name
Racecadotril
Product Name Synonym
Dibenzyl 2,2'- ((3,3'-disulfanediylbis (2-benzylpropanoyl) ) bis (azanediyl) ) diacetate

Chemical Information

Deacetyl Racecadotril Disulfide
CAS Number141437-88-9
PubChem CID15003869
IUPAC Namebenzyl 2-[[2-benzyl-3-[[2-benzyl-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]disulfanyl]propanoyl]amino]acetate
Molecular FormulaC38H40N2O6S2
Molecular Weight684.9
XLogP6.2
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Heavy Atom Count48
Formal Charge0
Complexity883
SMILES
C1=CC=C(C=C1)CC(CSSCC(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)C(=O)NCC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C38H40N2O6S2/c41-35(45-25-31-17-9-3-10-18-31)23-39-37(43)33(21-29-13-5-1-6-14-29)27-47-48-28-34(22-30-15-7-2-8-16-30)38(44)40-24-36(42)46-26-32-19-11-4-12-20-32/h1-20,33-34H,21-28H2,(H,39,43)(H,40,44)
InChIKey
SHIRAPUEIHEARH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Deacetyl Racecadotril Disulfide
CAS: 141437-88-9
CID: 15003869
Formula: C38H40N2O6S2
MW: 684.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight684.9
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Exact Mass684.23277935
Monoisotopic Mass684.23277935
Topological Polar Surface Area161 Ų
Heavy Atom Count48
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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