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A 987306

CAT: 0607-B7451-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7451-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
H4 receptor antagonist,potent and selective
CAS Number
1082954-71-9
Product Name Alternative
(7aR,11aR)-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine
Field of Research
Neuroscience Histamine Receptor
Purity
0.98
Form
Off-white solid
Solubility
<32.74mg/ml in DMSO; <32.74mg/ml in ethanol
Smiles
NC(N=C1N2CCNCC2)=NC3=C1CCC4=C3[C@@H](CCCC5)[C@@H]5O4
Molecular Formula
C18H25N5O
Molecular Weight
327.42
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

A-987306
CAS Number1082954-71-9
PubChem CID44538833
IUPAC Name(7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
Molecular FormulaC18H25N5O
Molecular Weight327.4
XLogP1.3
Topological Polar Surface Area76.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity518
SMILES
C1CC[C@@H]2[C@H](C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
InChI
InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
InChIKey
DJKJVWJQAVGLHJ-WCQYABFASA-N
Chemical Structure
2D Structure
2D structure of A-987306
CAS: 1082954-71-9
CID: 44538833
Formula: C18H25N5O
MW: 327.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass327.20591044
Monoisotopic Mass327.20591044
Topological Polar Surface Area76.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
574336A-987306
MBS5802315A 987306
254492-01A 987306 discontinued

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