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Olanexidine Hydrochloride semihydrate

CAT: 0957-S5924-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S5924-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
218282-71-4
Synonyms
OPB-2045, OPB-2045G
Target
Bacterial
Applications
Microbiology
Smiles
CCCCCCCCN=C (N) NC (=NCC1=CC (=C (C=C1) Cl) Cl) N.CCCCCCCCN=C (N) NC (=NCC1=CC (=C (C=C1) Cl) Cl) N.O.Cl.Cl
Molecular Formula
C17H29Cl3N5O0.5
Additionnal Information
Olanexidine (OPB-2045, OPB-2045G) is a monobiguanide compound with bactericidal activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Olanexidine Hydrochloride

Olanexidine hydrochloride hydrate is a dichlorobenzene.

CAS Number218282-71-4
PubChem CID636390
IUPAC Namebis(1-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine);hydrate;dihydrochloride
Molecular FormulaC34H58Cl6N10O
Molecular Weight835.6
Topological Polar Surface Area179
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count5
Rotatable Bond Count22
Heavy Atom Count51
Formal Charge0
Complexity400
SMILES
CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N.CCCCCCCCN=C(N)NC(=NCC1=CC(=C(C=C1)Cl)Cl)N.O.Cl.Cl
InChI
InChI=1S/2C17H27Cl2N5.2ClH.H2O/c2*1-2-3-4-5-6-7-10-22-16(20)24-17(21)23-12-13-8-9-14(18)15(19)11-13;;;/h2*8-9,11H,2-7,10,12H2,1H3,(H5,20,21,22,23,24);2*1H;1H2
InChIKey
PMKCJSVTNJUCGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olanexidine Hydrochloride
CAS: 218282-71-4
CID: 636390
Formula: C34H58Cl6N10O
MW: 835.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.6
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count5
Rotatable Bond Count22
Exact Mass834.289673
Monoisotopic Mass832.292623
Topological Polar Surface Area179 Ų
Heavy Atom Count51
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 Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T22390-01Olanexidine Hydrochloride semihydrate
HY-125654BOlanexidine (hydrochloride semihydrate)
T28229-01Olanexidine hydrochloride
HY-125654A-01Olanexidine (hydrochloride)
HY-10341BFasudil (hydrochloride semihydrate)
MBS5804197Olanexidine
HY-125654COlanexidine (gluconate)
GTR19196887-01Olanexidine Gluconate
MBS5777922Olanexidine HCl
RM-O350007-01Olanexidine Impurity 7

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