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Sacubitrilat impurity 34

CAT: 0804-HY-78834-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-78834-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sacubitrilat impurity 34 is an impurity of Sacubitrilat.
CAS Number
149709-58-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
99.68
Smiles
O=C(OC(C)(C)C)N[C@@H](C=O)CC1=CC=C(C2=CC=CC=C2)C=C1
Molecular Formula
C20H23NO3
Molecular Weight
325.41
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

1,1-Dimethylethyl N-((1R)-2-(1,1'-biphenyl)-4-yl-1-formylethyl)carbamate
CAS Number149709-58-0
PubChem CID10314238
IUPAC Nametert-butyl N-[(2R)-1-oxo-3-(4-phenylphenyl)propan-2-yl]carbamate
Molecular FormulaC20H23NO3
Molecular Weight325.4
XLogP4.1
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity402
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C20H23NO3/c1-20(2,3)24-19(23)21-18(14-22)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKey
OWIZSBUSCSIZSA-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethylethyl N-((1R)-2-(1,1'-biphenyl)-4-yl-1-formylethyl)carbamate
CAS: 149709-58-0
CID: 10314238
Formula: C20H23NO3
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass325.16779360
Monoisotopic Mass325.16779360
Topological Polar Surface Area55.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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