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Oteseconazole

CAT: 1596-AR-O08954-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-O08954-05Size:150
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CAS Number
1340593-59-0
Synonyms
(R) -2- (2,4-difluorophenyl) -1,1-difluoro-3- (1H-tetrazol-1-yl) -1- (5- (4- (2,2,2-trifluoroethoxy) phenyl) pyridin-2-yl) propan-2-ol
Molecular Formula
C23H16F7N5O2
Molecular Weight
527.4
API Name
Oteseconazole

Chemical Information

Oteseconazole

Oteseconazole is an organic molecular entity.

CAS Number1340593-59-0
PubChem CID77050711
IUPAC Name(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol
Molecular FormulaC23H16F7N5O2
Molecular Weight527.4
XLogP4.2
Topological Polar Surface Area86
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity743
SMILES
C1=CC(=CC=C1C2=CN=C(C=C2)C([C@](CN3C=NN=N3)(C4=C(C=C(C=C4)F)F)O)(F)F)OCC(F)(F)F
InChI
InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1
InChIKey
IDUYJRXRDSPPRC-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Oteseconazole
CAS: 1340593-59-0
CID: 77050711
Formula: C23H16F7N5O2
MW: 527.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass527.11922190
Monoisotopic Mass527.11922190
Topological Polar Surface Area86 Ų
Heavy Atom Count37
Formal Charge0
Complexity743
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

Alternative Products

CatalogName
BA1665-5.1Oteseconazole
A20838-10Oteseconazole 10mg
A20838-5Oteseconazole 5mg
A20838-2Oteseconazole 2mg
A20838-1Oteseconazole 1mg
RM-O475004-01Racemic Oteseconazole
A20838-200Oteseconazole 200mg
TRC-O455720-100MG(S)-Oteseconazole
HY-17643R-01Oteseconazole (Standard)
A20838-25Oteseconazole 25mg

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