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Olanexidine

CAT: 0127-OR1022865-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1022865-02Size:250 mg
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CAS Number
146510-36-3
Synonyms
1-[N'-[ (3,4-dichlorophenyl) methyl]carbamimidoyl]-2-octylguanidine
Purity
98%
Smiles
CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N

Chemical Information

Olanexidine

Olanexidine is a dichlorobenzene.

CAS Number146510-36-3
PubChem CID636391
IUPAC Name1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine
Molecular FormulaC17H27Cl2N5
Molecular Weight372.3
XLogP4.7
Topological Polar Surface Area88.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity400
SMILES
CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C17H27Cl2N5/c1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24)
InChIKey
ZZQMUJGZCZTLQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olanexidine
CAS: 146510-36-3
CID: 636391
Formula: C17H27Cl2N5
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count11
Exact Mass371.1643513
Monoisotopic Mass371.1643513
Topological Polar Surface Area88.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5804197Olanexidine
HY-125654COlanexidine (gluconate)
T28229-01Olanexidine hydrochloride
HY-125654A-01Olanexidine (hydrochloride)
GTR19196887-01Olanexidine Gluconate
MBS5777922Olanexidine HCl
RM-O350007-01Olanexidine Impurity 7
T22390-01Olanexidine Hydrochloride semihydrate
RM-O350006-01Olanexidine Impurity 6
RM-O350004-01Olanexidine Impurity 4

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