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Tegoprazan (R Isomer)

CAT: 1596-AR-T03469-01Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03469-01Size:250 Units
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CAS Number
942195-56-4
Synonyms
(R) -7- ((5,7-Difluorochroman-4-yl) oxy) -N, N,2-trimethyl-1H-benzo[d]imidazole-5-carboxamide
Molecular Formula
C20H19F2N3O3
Molecular Weight
387.38
API Name
Tegoprazan

Chemical Information

(4R)-Tegoprazan
CAS Number942195-56-4
PubChem CID58900204
IUPAC Name7-[[(4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
Molecular FormulaC20H19F2N3O3
Molecular Weight387.4
XLogP3.2
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity581
SMILES
CC1=NC2=C(N1)C=C(C=C2O[C@@H]3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)C
InChI
InChI=1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m1/s1
InChIKey
CLIQCDHNPDMGSL-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of (4R)-Tegoprazan
CAS: 942195-56-4
CID: 58900204
Formula: C20H19F2N3O3
MW: 387.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass387.13944780
Monoisotopic Mass387.13944780
Topological Polar Surface Area67.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity581
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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Alternative Products

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SMB19555-01Tegoprazan
RM-T051608-01Tegoprazan Impurity 8 ((R) -Tegoprazan)

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