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Finerenone Impurity 2 (S Isomer)

CAT: 1596-AR-F09516-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F09516-01Size:25 Units
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CAS Number
2640506-74-5
Synonyms
(S) -4- (4-Cyano-2-methoxyphenyl) -5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
Molecular Formula
C21H21N3O4
Molecular Weight
379.42
API Name
Finerenone

Chemical Information

(S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic Acid
CAS Number2640506-74-5
PubChem CID156272923
IUPAC Name(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
Molecular FormulaC21H21N3O4
Molecular Weight379.4
XLogP3.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity670
SMILES
CCOC1=NC=C(C2=C1[C@@H](C(=C(N2)C)C(=O)O)C3=C(C=C(C=C3)C#N)OC)C
InChI
InChI=1S/C21H21N3O4/c1-5-28-20-18-17(14-7-6-13(9-22)8-15(14)27-4)16(21(25)26)12(3)24-19(18)11(2)10-23-20/h6-8,10,17,24H,5H2,1-4H3,(H,25,26)/t17-/m1/s1
InChIKey
CTEQWCKBTWAWIH-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic Acid
CAS: 2640506-74-5
CID: 156272923
Formula: C21H21N3O4
MW: 379.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass379.15320616
Monoisotopic Mass379.15320616
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity670
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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RM-F260057-01Finerenone Impurity 57
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RM-F260012-01Finerenone Impurity 12
RM-F260047-01Finerenone Impurity 47
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