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AZD 9056 hydrochloride

CAT: 0926-FA158515Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FA158515Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345303-91-5
Synonyms
2- Chloro- 5- [3- [ (3- hydroxypropyl) amino] propyl] - N- (tricyclo[3.3.1.13, 7] dec- 1- ylmethyl) benzamide HCl
MDL Number
MFCD30718168
Smiles
C1C2CC3CC1CC (C2) (C3) CNC (=O) C4=C (C=CC (=C4) CCCNCCCO) Cl.Cl
Molecular Formula
C24H35ClN2O2·HCl
Molecular Weight
455.46 g/mol
Controlled
No

Chemical Information

AZD-9056 hydrochloride
CAS Number345303-91-5
PubChem CID10161380
IUPAC NameN-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide;hydrochloride
Molecular FormulaC24H36Cl2N2O2
Molecular Weight455.5
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity514
SMILES
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCO)Cl.Cl
InChI
InChI=1S/C24H35ClN2O2.ClH/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24;/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29);1H
InChIKey
LZBBHFRRZLDHLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZD-9056 hydrochloride
CAS: 345303-91-5
CID: 10161380
Formula: C24H36Cl2N2O2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass454.2153838
Monoisotopic Mass454.2153838
Topological Polar Surface Area61.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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