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DS39201083

CAT: 0013-GTR19273642-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273642-02Size:10 mg
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Description
DS39201083, a Conolidine derivative, is a potent oral analgesic. It does not exhibit agonistic activity at the μ-opioid receptor. DS39201083 is applicable in the study of neurological disorders.
CAS Number
2361560-81-6
Smiles
O=C1C=2NC=3C=CC=CC3C2CN4CCC1 (C) CC4
Molecular Formula
C16H18N2O
Molecular Weight
254.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

13-Methyl-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
CAS Number2361560-81-6
PubChem CID155557071
IUPAC Name13-methyl-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
Molecular FormulaC16H18N2O
Molecular Weight254.33
XLogP2.6
Topological Polar Surface Area36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity386
SMILES
CC12CCN(CC1)CC3=C(C2=O)NC4=CC=CC=C34
InChI
InChI=1S/C16H18N2O/c1-16-6-8-18(9-7-16)10-12-11-4-2-3-5-13(11)17-14(12)15(16)19/h2-5,17H,6-10H2,1H3
InChIKey
VEEBOZJIPHWJSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-Methyl-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-one
CAS: 2361560-81-6
CID: 155557071
Formula: C16H18N2O
MW: 254.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.33
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass254.141913202
Monoisotopic Mass254.141913202
Topological Polar Surface Area36.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-128624DS39201083

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