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Dorzolamide EP Impurity B

CAT: 1299-RM-D261202-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D261202-02Size:25 mg
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CAS Number
120279-37-0
Synonyms
(4RS,6SR) -4- (Ethylamino) -6-methyl-5,6-dihydro-4H-thieno[2, 3-b]thiopyran-2-sulfonamide 7,7-dioxide HCl
Molecular Formula
C10H17ClN2O4S3
Molecular Weight
360.9
Target Alternative Name
Dorzolamide
Product Name Synonym
(4RS,6SR) -4- (Ethylamino) -6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide HCl

Chemical Information

(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CAS Number120279-37-0
PubChem CID71587445
IUPAC Name(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
Molecular FormulaC10H17ClN2O4S3
Molecular Weight360.9
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity534
SMILES
CCN[C@@H]1C[C@@H](S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl
InChI
InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8+;/m0./s1
InChIKey
OSRUSFPMRGDLAG-QDOHZIMISA-N
Chemical Structure
2D Structure
2D structure of (4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CAS: 120279-37-0
CID: 71587445
Formula: C10H17ClN2O4S3
MW: 360.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight360.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass360.0038982
Monoisotopic Mass360.0038982
Topological Polar Surface Area151 Ų
Heavy Atom Count20
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes