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RTI-177

CAT: 0926-VGA93995-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-VGA93995-02Size:5 mg
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CAS Number
170939-95-4
Smiles
C1=CC (=C (C (=C1) F) CN2C=C (N=N2) C (=O) N) F
Molecular Formula
C10H8F2N4O
Molecular Weight
240.21 g/mol
Controlled
No

Chemical Information

Rti-177 hydrochloride
CAS Number170939-95-4
PubChem CID9931646
IUPAC Name5-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-phenyl-1,2-oxazole;hydrochloride
Molecular FormulaC23H24Cl2N2O
Molecular Weight415.4
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity503
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Cl)C4=CC(=NO4)C5=CC=CC=C5.Cl
InChI
InChI=1S/C23H23ClN2O.ClH/c1-26-18-11-12-21(26)23(19(13-18)15-7-9-17(24)10-8-15)22-14-20(25-27-22)16-5-3-2-4-6-16;/h2-10,14,18-19,21,23H,11-13H2,1H3;1H/t18-,19+,21+,23-;/m0./s1
InChIKey
JCFQMEPVIGHHNV-CDDIXHLPSA-N
Chemical Structure
2D Structure
2D structure of Rti-177 hydrochloride
CAS: 170939-95-4
CID: 9931646
Formula: C23H24Cl2N2O
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass414.1265688
Monoisotopic Mass414.1265688
Topological Polar Surface Area29.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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