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Benoxinate Hydrochloride

CAT: 0572-TRC-B161400-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B161400-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5987-82-6
Synonyms
Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1); Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester, monohydrochloride (8CI,9CI); 2-(Diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride; Benoxil; Benoxinate hydrochloride; Boxinate; Cebesine; Conjucaine; Conjuncain; Dorsacaine; Dorsacaine hydrochloride; Lacrimin; Novesin; Novesine; Oxybuprocaine hydrochloride
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
Molecular Formula
C17 H28 N2 O3 . Cl H
Molecular Weight
344.88
InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
Additionnal Information
IUPAC name: 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Oxybuprocaine Hydrochloride
CAS Number5987-82-6
PubChem CID6420040
IUPAC Name2-(diethylamino)ethyl 4-amino-3-butoxybenzoate;hydrochloride
Molecular FormulaC17H29ClN2O3
Molecular Weight344.9
Topological Polar Surface Area64.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity308
SMILES
CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)N.Cl
InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
InChIKey
PRGUDWLMFLCODA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxybuprocaine Hydrochloride
CAS: 5987-82-6
CID: 6420040
Formula: C17H29ClN2O3
MW: 344.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass344.1866705
Monoisotopic Mass344.1866705
Topological Polar Surface Area64.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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