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DAU 5884 hydrochloride

CAT: 0931-T22709-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T22709-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131780-48-8
Target
AChR, Others
Related Pathways
Neuroscience, Others
Bioactivity
Muscarinic M3 receptor antagonist
Smiles
C(O[C@H]1C[C@@]2(N(C)[C@](C1)(CC2)[H])[H])(=O)N3CC=4C(NC3=O)=CC=CC4.Cl
Molecular Formula
C17H22ClN3O3
Molecular Weight
351.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DAU 5884 hydrochloride
CAS Number131780-48-8
PubChem CID16759154
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride
Molecular FormulaC17H22ClN3O3
Molecular Weight351.8
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity483
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl
InChI
InChI=1S/C17H21N3O3.ClH/c1-19-12-6-7-13(19)9-14(8-12)23-17(22)20-10-11-4-2-3-5-15(11)18-16(20)21;/h2-5,12-14H,6-10H2,1H3,(H,18,21);1H/t12-,13+,14?;
InChIKey
FDERDDSQHZRNGC-LIWIJTDLSA-N
Chemical Structure
2D Structure
2D structure of DAU 5884 hydrochloride
CAS: 131780-48-8
CID: 16759154
Formula: C17H22ClN3O3
MW: 351.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass351.1349693
Monoisotopic Mass351.1349693
Topological Polar Surface Area61.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B6949-50DAU 5884 hydrochloride
HY-107645-01DAU 5884 (hydrochloride)
A8721-50CBR-5884
HY-120792DAU 5884
MBS3841457-01CBR 5884

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