Emixustat hydrochloride

CAT: 0931-T11188L-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T11188L-01Size:1 mg

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

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CAS Number

1141934-97-5

Target

Others

Related Pathways

Others

Purity

0.9948

Bioactivity

Emixustat hydrochloride (ACU-4429 hydrochloride) strongly inhibits 11-cis-retinol production with IC50 values of 232 ± 3 nM. 11-cis-retinol Emixustat hydrochloride is a novel visual cycle modulator.

Smiles

Cl.NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1

Molecular Formula

C16H26ClNO2

Molecular Weight

299.84

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Emixustat Hydrochloride

See also: Emixustat (has active moiety).

CAS Number	1141934-97-5
PubChem CID	60162270
IUPAC Name	(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
Molecular Formula	C16H26ClNO2
Molecular Weight	299.83
Topological Polar Surface Area	55.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	241

SMILES

C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O.Cl

InChI

InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1

InChIKey

BPZWRYOUJMDQSY-PKLMIRHRSA-N

Chemical Structure

2D Structure

CAS: 1141934-97-5

CID: 60162270

Formula: C16H26ClNO2

MW: 299.83

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	299.83
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	299.1652068
Monoisotopic Mass	299.1652068
Topological Polar Surface Area	55.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	241
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	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
M10504-01	Emixustat hydrochloride
HY-19720A-01	Emixustat (hydrochloride)
TRC-B224873-1G	rac-Emixustat Hydrochloride Salt
HY-19720-01	Emixustat
319694	Emixustat HCl
A12336-2	Emixustat 2mg
A12336-10	Emixustat 10mg
A12336-5	Emixustat 5mg
A12336-100	Emixustat 100mg
A12336-50	Emixustat 50mg

Emixustat hydrochloride

Chemical Information

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