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AFDX384

CAT: 0013-GTR19209371-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209371-03Size:100 mg
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Description
AFDX384 is a selective muscarinic acetylcholine receptor antagonist with high affinity for the M2 and M4 subtypes. This compound is a valuable pharmacological tool for investigating cholinergic signaling in neuroscience research, applicable in both in vitro binding assays and in vivo behavioral studies.
CAS Number
118290-27-0
Field of Research
Neuroscience
Smiles
S (C) (=O) (=O) O.C (NCCN1C (CN (CCC) CCC) CCCC1) (=O) N2C=3C (NC (=O) C=4C2=CC=CC4) =CC=CN3
Molecular Formula
C28H42N6O5S
Molecular Weight
574.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

11H-Pyrido(2,3-b)(1,4)benzodiazepine-11-carboxamide, N-(2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-6-oxo-, methanesulfonate (1:1)

structure given in first source

CAS Number118290-27-0
PubChem CID119356
IUPAC NameN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide;methanesulfonic acid
Molecular FormulaC28H42N6O5S
Molecular Weight574.7
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity777
SMILES
CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.CS(=O)(=O)O
InChI
InChI=1S/C27H38N6O2.CH4O3S/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33;1-5(2,3)4/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34);1H3,(H,2,3,4)
InChIKey
LBXOPAJGAXATCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 11H-Pyrido(2,3-b)(1,4)benzodiazepine-11-carboxamide, N-(2-(2-((dipropylamino)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-6-oxo-, methanesulfonate (1:1)
CAS: 118290-27-0
CID: 119356
Formula: C28H42N6O5S
MW: 574.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass574.29373964
Monoisotopic Mass574.29373964
Topological Polar Surface Area144 Ų
Heavy Atom Count40
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
531410AFDX384

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