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Tiropramide

CAT: 0013-GTR19199557-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199557-02Size:50 mg
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Description
Tiropramide
CAS Number
55837-29-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CC1=CC=C (OCCN (CC) CC) C=C1) (C (N (CCC) CCC) =O) NC (=O) C2=CC=CC=C2
Molecular Formula
C28H41N3O3
Molecular Weight
467.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tiropramide

Tiropramide is a phenylalanine derivative.

CAS Number55837-29-1
PubChem CID42262
IUPAC NameN-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Molecular FormulaC28H41N3O3
Molecular Weight467.6
XLogP5.2
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity561
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)
InChIKey
FDBWMYOFXWMGEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiropramide
CAS: 55837-29-1
CID: 42262
Formula: C28H41N3O3
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass467.31479218
Monoisotopic Mass467.31479218
Topological Polar Surface Area61.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116755Tiropramide
CS-T-52503Tiropramide impurity A
021891Tiropramide Hydrochloride
AR-T05328-01Tiropramide-d10
HY-116755S-01Tiropramide-d5
AR-T05329-01Tiropramide Oxalate
AR-T02391-01Tiropramide Impurity B
AR-T02389-01Tiropramide Impurity C
AR-T05330-01Tiropramide-d5 Oxalate

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