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CH 141

CAT: 0931-T30859-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30859-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
78279-88-6
Target
Others, Endothelin Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
CH 141 is a new type of peripheral vasodilator.
Smiles
C(N1CC=2C(CC1)=CC=CC2)C3CNC(=NO3)C4=CC=CC=C4
Molecular Formula
C19H21N3O
Molecular Weight
307.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CH 141

structure given in first source

CAS Number78279-88-6
PubChem CID132839
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
Molecular FormulaC19H21N3O
Molecular Weight307.4
XLogP2.6
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity419
SMILES
C1CN(CC2=CC=CC=C21)CC3CN=C(NO3)C4=CC=CC=C4
InChI
InChI=1S/C19H21N3O/c1-2-7-16(8-3-1)19-20-12-18(23-21-19)14-22-11-10-15-6-4-5-9-17(15)13-22/h1-9,18H,10-14H2,(H,20,21)
InChIKey
GWAKPCRBHTWEKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CH 141
CAS: 78279-88-6
CID: 132839
Formula: C19H21N3O
MW: 307.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass307.168462302
Monoisotopic Mass307.168462302
Topological Polar Surface Area36.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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