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ADR 851 (free base)

CAT: 0804-HY-101747-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101747-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ADR 851 free base is a dopamine D2 receptor antagonist, and can be used in research on antiemetics[1].
CAS Number
138559-56-5
UNSPSC
12352005
Target
Dopamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/adr-851-free-base.html
Smiles
O=C(C1=C(OCC2)C2=C(N)C(Cl)=C1)NC[C@H]3NCCC3
Molecular Formula
C14H18ClN3O2
Molecular Weight
295.76
References & Citations
[1]Monković I, et al. 7 Developments in the Antiemetic Area: Chemistry, Pharmacology and Therapy[J]. Progress in medicinal chemistry, 1990, 27: 297-323.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-(2-pyrrolidinylmethyl)-, (S)-
CAS Number138559-56-5
PubChem CID130054
IUPAC Name4-amino-5-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular FormulaC14H18ClN3O2
Molecular Weight295.76
XLogP1.3
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity368
SMILES
C1C[C@H](NC1)CNC(=O)C2=CC(=C(C3=C2OCC3)N)Cl
InChI
InChI=1S/C14H18ClN3O2/c15-11-6-10(13-9(12(11)16)3-5-20-13)14(19)18-7-8-2-1-4-17-8/h6,8,17H,1-5,7,16H2,(H,18,19)/t8-/m0/s1
InChIKey
MPECLPSCJHXWNO-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 7-Benzofurancarboxamide, 4-amino-5-chloro-2,3-dihydro-N-(2-pyrrolidinylmethyl)-, (S)-
CAS: 138559-56-5
CID: 130054
Formula: C14H18ClN3O2
MW: 295.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.76
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass295.1087545
Monoisotopic Mass295.1087545
Topological Polar Surface Area76.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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