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Brinzolamide Hydrochloride

CAT: 0572-TRC-B677600-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B677600-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150937-43-2
Synonyms
Brinzolamide Hydrochloride
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N
Molecular Formula
C12 H21 N3 O5 S3 . Cl H
Molecular Weight
419.97
InChI
InChI=1S/C12H21N3O5S3.ClH/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17;/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17);1H/t10-;/m0./s1
Additionnal Information
IUPAC name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Brinzolamide hydrochloride
CAS Number150937-43-2
PubChem CID11711447
IUPAC Name(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
Molecular FormulaC12H22ClN3O5S3
Molecular Weight420.0
Topological Polar Surface Area164
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity598
SMILES
CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC.Cl
InChI
InChI=1S/C12H21N3O5S3.ClH/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17;/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17);1H/t10-;/m0./s1
InChIKey
UGAMYTZPFRXCOG-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of Brinzolamide hydrochloride
CAS: 150937-43-2
CID: 11711447
Formula: C12H22ClN3O5S3
MW: 420.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass419.0410120
Monoisotopic Mass419.0410120
Topological Polar Surface Area164 Ų
Heavy Atom Count24
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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