Ent-Brinzolamide Impurity 23

CAT: 1596-AR-B07687-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-B07687-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1413393-01-7

Synonyms

(R) -6-chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide

Molecular Formula

C6H6ClNO3S2

Molecular Weight

239.69

API Name

Brinzolamide

Chemical Information

(R)-6-Chloro-4-hydroxy-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine 1,1-dioxide

CAS Number	1413393-01-7
PubChem CID	86326090
IUPAC Name	(4R)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
Molecular Formula	C6H6ClNO3S2
Molecular Weight	239.7
XLogP	0.8
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	301

SMILES

C1[C@@H](C2=C(SC(=C2)Cl)S(=O)(=O)N1)O

InChI

InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2/t4-/m0/s1

InChIKey

OFJGKGNJDCLNPM-BYPYZUCNSA-N

Chemical Structure

2D Structure

CAS: 1413393-01-7

CID: 86326090

Formula: C6H6ClNO3S2

MW: 239.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.7
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	238.9477631
Monoisotopic Mass	238.9477631
Topological Polar Surface Area	103 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes