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Netarsudil Dihydrochloride

CAT: 0931-T10358-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10358-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1253952-02-1
Target
ROCK
Related Pathways
Cell Cycle/Checkpoint, Stem Cells, Cytoskeletal Signaling
Purity
0.9998
Bioactivity
Netarsudil Dihydrochloride (AR-13324 Dihydrochloride) is an inhibitor of Rho-related protein kinase (ROCK) and norepinephrine transporter (NET) and is effective in reducing intraocular pressure (IOP) .
Smiles
CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.Cl.Cl
Molecular Formula
C28H29Cl2N3O3
Molecular Weight
526.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Netarsudil dihydrochloride
CAS Number1253952-02-1
PubChem CID66599892
IUPAC Name[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate;dihydrochloride
Molecular FormulaC28H29Cl2N3O3
Molecular Weight526.4
Topological Polar Surface Area94.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity678
SMILES
CC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)[C@@H](CN)C(=O)NC3=CC4=C(C=C3)C=NC=C4)C.Cl.Cl
InChI
InChI=1S/C28H27N3O3.2ClH/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24;;/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32);2*1H/t26-;;/m1../s1
InChIKey
LDKTYVXXYUJVJM-FBHGDYMESA-N
Chemical Structure
2D Structure
2D structure of Netarsudil dihydrochloride
CAS: 1253952-02-1
CID: 66599892
Formula: C28H29Cl2N3O3
MW: 526.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass525.1585972
Monoisotopic Mass525.1585972
Topological Polar Surface Area94.3 Ų
Heavy Atom Count36
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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M11023-01Netarsudil dihydrochloride
TRC-N847582-50MGNetarsudil-d4-Dihydrochloride
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MBS5752711Netarsudil mesylate
581020Netarsudil HCl
HY-12798A-01Netarsudil (dimesylate)
HY-12798B-01Netarsudil (hydrochloride)
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CS-EO-02555Netarsudil-d6
MBS5752709Netarsudil hydrochloride

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