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NAD 299 hydrochloride

CAT: 0607-B5406-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5406-50Size:50 mg
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Description
Selective, high affinity 5-HT1A receptor antagonist
CAS Number
184674-99-5
Product Name Alternative
(R)-3-(dicyclobutylamino)-8-fluorochroman-5-carbimidic acid hydrochloride
Field of Research
Neuroscience 5-HT Receptor
Form
Off-white solid
Solubility
<35.48mg/ml in H2O; <35.48mg/ml in DMSO
Smiles
FC1=C2C(C[C@](N(C3CCC3)C4CCC4)([H])CO2)=C(C(O)=N)C=C1.Cl
Molecular Formula
C18H23FN2O2·HCl
Molecular Weight
354.85
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

NAD 299 hydrochloride
CAS Number184674-99-5
PubChem CID90488823
IUPAC Name(3R)-3-[di(cyclobutyl)amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide;hydrochloride
Molecular FormulaC18H24ClFN2O2
Molecular Weight354.8
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity438
SMILES
C1CC(C1)N([C@@H]2CC3=C(C=CC(=C3OC2)F)C(=O)N)C4CCC4.Cl
InChI
InChI=1S/C18H23FN2O2.ClH/c19-16-8-7-14(18(20)22)15-9-13(10-23-17(15)16)21(11-3-1-4-11)12-5-2-6-12;/h7-8,11-13H,1-6,9-10H2,(H2,20,22);1H/t13-;/m1./s1
InChIKey
GSZJANKLCPHEEX-BTQNPOSSSA-N
Chemical Structure
2D Structure
2D structure of NAD 299 hydrochloride
CAS: 184674-99-5
CID: 90488823
Formula: C18H24ClFN2O2
MW: 354.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass354.1510339
Monoisotopic Mass354.1510339
Topological Polar Surface Area55.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity438
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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