E 6080 HCl

CAT: 0931-T10508L-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T10508L-03Size:10 mg

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

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CAS Number

120164-49-0

Target

Lipoxygenase

Related Pathways

Metabolism

Purity

0.998

Bioactivity

E 6080 HCl is a 5-lipoxygenase inhibitor and can be used to study bronchial diseases.

Smiles

Cl.O=S(=O)(N)C1=CC=C(C=C1)CNC2=NC=3C(S2)=C(C(O)=C(C3C)C)C

Molecular Formula

C17H20ClN3O3S2

Molecular Weight

413.94

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

E 6080

CAS Number	120164-49-0
PubChem CID	129064
IUPAC Name	4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide;hydrochloride
Molecular Formula	C17H20ClN3O3S2
Molecular Weight	413.9
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	560

SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)O)C.Cl

InChI

InChI=1S/C17H19N3O3S2.ClH/c1-9-10(2)15(21)11(3)16-14(9)20-17(24-16)19-8-12-4-6-13(7-5-12)25(18,22)23;/h4-7,21H,8H2,1-3H3,(H,19,20)(H2,18,22,23);1H

InChIKey

WLODMDLNSQYBMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120164-49-0

CID: 129064

Formula: C17H20ClN3O3S2

MW: 413.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	413.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	413.0634615
Monoisotopic Mass	413.0634615
Topological Polar Surface Area	142 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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E 6080 HCl

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