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Ml 324 dihydrochloride

CAT: 0926-IJD96853-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IJD96853-01Size:50 mg
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CAS Number
2108968-53-0
Smiles
CN (C) CCCNC (=O) C1=CC=C (C=C1) C2=CC (=C3C (=C2) C=CC=N3) O.Cl.Cl
Molecular Formula
C21H25Cl2N3O2
Molecular Weight
422.3 g/mol
Controlled
No

Chemical Information

ML 324 dihydrochloride
CAS Number2108968-53-0
PubChem CID91826498
IUPAC NameN-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide;dihydrochloride
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity449
SMILES
CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O.Cl.Cl
InChI
InChI=1S/C21H23N3O2.2ClH/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18;;/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26);2*1H
InChIKey
YUYSXTUKBJSXCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML 324 dihydrochloride
CAS: 2108968-53-0
CID: 91826498
Formula: C21H25Cl2N3O2
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass421.1323824
Monoisotopic Mass421.1323824
Topological Polar Surface Area65.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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