AFDX384

CAT: 0931-T71311-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T71311-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

118290-27-0

Target

AChR, Others

Related Pathways

Others, Neuroscience

Bioactivity

AFDX384 is potent M2/M4 selective antagonist.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	118290-27-0
PubChem CID	119356
IUPAC Name	N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide;methanesulfonic acid
Molecular Formula	C28H42N6O5S
Molecular Weight	574.7
Topological Polar Surface Area	144
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	40
Formal Charge	0
Complexity	777

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

CAS: 118290-27-0

CID: 119356

Formula: C28H42N6O5S

MW: 574.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	574.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	574.29373964
Monoisotopic Mass	574.29373964
Topological Polar Surface Area	144 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	777
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
531410	AFDX384

AFDX384

Chemical Information

Alternative Products

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