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RTI-336

CAT: 1596-AR-R09939-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-R09939-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
204069-50-1
Synonyms
5- ((1R,2S,3S,5S) -3- (4-chlorophenyl) -8-methyl-8-azabicyclo[3.2.1]octan-2-yl) -3- (p-tolyl) isoxazole hydrochloride
Molecular Formula
C24H25ClN2O.ClH
Molecular Weight
429.38
API Name
RTI-336

Chemical Information

Rti-336
CAS Number204069-50-1
PubChem CID11524766
IUPAC Name5-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
Molecular FormulaC24H26Cl2N2O
Molecular Weight429.4
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity529
SMILES
CC1=CC=C(C=C1)C2=NOC(=C2)[C@@H]3[C@H]4CC[C@H](N4C)C[C@@H]3C5=CC=C(C=C5)Cl.Cl
InChI
InChI=1S/C24H25ClN2O.ClH/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2;/h3-10,14,19-20,22,24H,11-13H2,1-2H3;1H/t19-,20+,22+,24-;/m0./s1
InChIKey
IZMZEMAKFSYLMD-SXBQIKTFSA-N
Chemical Structure
2D Structure
2D structure of Rti-336
CAS: 204069-50-1
CID: 11524766
Formula: C24H26Cl2N2O
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass428.1422188
Monoisotopic Mass428.1422188
Topological Polar Surface Area29.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity529
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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