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AF-DX 384 50mg

CAT: 0628-A13856-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13856-50Size:50 mg
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CAS Number
118290-26-9

Chemical Information

AF-DX-384

N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide is a benzodiazepine.

CAS Number118290-26-9
PubChem CID119357
IUPAC NameN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Molecular FormulaC27H38N6O2
Molecular Weight478.6
XLogP2.8
Topological Polar Surface Area80.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity685
SMILES
CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C27H38N6O2/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/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
InChIKey
MZDYABXXPZNUCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AF-DX-384
CAS: 118290-26-9
CID: 119357
Formula: C27H38N6O2
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass478.30562448
Monoisotopic Mass478.30562448
Topological Polar Surface Area80.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity685
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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Alternative Products

CatalogName
HY-107652-01AF-DX 384
B6598-1AF-DX 116
217161AF-DX 116 (Muscarinic Receptor (mAChR) M2 Antagonist, AF-DX 116, Otenzepad, AF-DX116, AF-DX-116, AFDX116) discontinued
HY-124223AF-DX 384 (methanesulfonate)
TEA29026-01AF-DX 384 Free Base

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