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AM 6545

CAT: 0926-VZB62605-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-VZB62605-01Size:1 mg
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CAS Number
1245626-05-4
MDL Number
MFCD19053178
Smiles
CC1=C (N (N=C1C (=O) NN2CCS (=O) (=O) CC2) C3=C (C=C (C=C3) Cl) Cl) C4=CC=C (C=C4) C#CCCC#N
Molecular Formula
C26H23Cl2N5O3S
Molecular Weight
556.46 g/mol
Controlled
No

Chemical Information

AM6545

AM6545 is a member of the class of pyrazoles that is 1H-pyrazole substituted by 2,4-dichlorophenyl, N-(1,1-dioxidothiomorpholin-4-yl)aminoacyl, methyl, and 4-(4-cyanobut-1-yn-1-yl)phenyl groups at positions 1, 3, 4 and 5, respectively. It is a cannabinoid receptor 1 antagonist and a potential appetite suppressant. It has a role as an appetite depressant, a CB1 receptor antagonist and an anti-obesity agent. It is a nitrile, a dichlorobenzene, a member of pyrazoles, a carbohydrazide, a sulfone, a member of thiomorpholines and an arylacetylene.

CAS Number1245626-05-4
PubChem CID46912919
IUPAC Name5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrazole-3-carboxamide
Molecular FormulaC26H23Cl2N5O3S
Molecular Weight556.5
XLogP4.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity1020
SMILES
CC1=C(N(N=C1C(=O)NN2CCS(=O)(=O)CC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C#CCCC#N
InChI
InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)
InChIKey
XBHQLFVDGLPBCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AM6545
CAS: 1245626-05-4
CID: 46912919
Formula: C26H23Cl2N5O3S
MW: 556.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass555.0898662
Monoisotopic Mass555.0898662
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity1020
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

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