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AZD1208 HCl 50mg

CAT: 0628-A16927-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A16927-50Size:50 mg
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CAS Number
1621866-96-3

Chemical Information

Azd-1208 hydrochloride
CAS Number1621866-96-3
PubChem CID76962885
IUPAC Name(5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity602
SMILES
C1C[C@H](CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)/C=C\4/C(=O)NC(=O)S4)N.Cl
InChI
InChI=1S/C21H21N3O2S.ClH/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14;/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26);1H/b18-12-;/t16-;/m1./s1
InChIKey
KPQHIFXAXSIKOA-SLWUYDEESA-N
Chemical Structure
2D Structure
2D structure of Azd-1208 hydrochloride
CAS: 1621866-96-3
CID: 76962885
Formula: C21H22ClN3O2S
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass415.1121258
Monoisotopic Mass415.1121258
Topological Polar Surface Area101 Ų
Heavy Atom Count28
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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