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Oxatomide-HCl

CAT: 0013-GTR19231950-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231950-01Size:100 mg
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Description
Oxatomide-HCl
CAS Number
65215-19-2
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
Cl[H].Cl[H].O=C1N ([H]) C2=C ([H]) C ([H]) =C ([H]) C ([H]) =C2N1C ([H]) ([H]) C ([H]) ([H]) C ([H]) ([H]) N1C ([H]) ([H]) C ([H]) ([H]) N (C ([H]) (C2C ([H]) =C ([H]) C ([H]) =C ([H]) C=2[H]) C2C ([H]) =C ([H]) C ([H]) =C ([H]) C=2[H]) C ([H]) ([H]) C1 ([H]) [H]
Molecular Formula
C27H32CL2N4O
Molecular Weight
499.4752
Notes
For research use only.

Chemical Information

1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one dihydrochloride
CAS Number65215-19-2
PubChem CID20342276
IUPAC Name3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one;dihydrochloride
Molecular FormulaC27H32Cl2N4O
Molecular Weight499.5
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity574
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl.Cl
InChI
InChI=1S/C27H30N4O.2ClH/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;;/h1-8,10-15,26H,9,16-21H2,(H,28,32);2*1H
InChIKey
JCGGWCLKZXCRRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-{3-[4-(diphenylmethyl)-1-piperazinyl]propyl}-1,3-dihydro-2H-benzimidazol-2-one dihydrochloride
CAS: 65215-19-2
CID: 20342276
Formula: C27H32Cl2N4O
MW: 499.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass498.1953170
Monoisotopic Mass498.1953170
Topological Polar Surface Area38.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity574
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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