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YC-1

CAT: 0498-bs-75406C-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75406C-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
170632-47-0
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Powder
Solubility
Soluble in DMSO, methanol or dichloromethane.
Smiles
OCC1=CC=C(O1)C1=NN(CC2=CC=CC=C2)C2=CC=CC=C12
Molecular Formula
C19H16N2O2
Molecular Weight
304.4
Storage Conditions
Stable for 2 years after receipt when stored at +4°C.
Appearance
White to pale yellow powder.

Chemical Information

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole

Lificiguat is a member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. It has a role as an antineoplastic agent, a vasodilator agent, a platelet aggregation inhibitor, an apoptosis inducer and a soluble guanylate cyclase activator. It is a member of furans, an aromatic primary alcohol and a member of indazoles.

CAS Number170632-47-0
PubChem CID5712
IUPAC Name[5-(1-benzylindazol-3-yl)furan-2-yl]methanol
Molecular FormulaC19H16N2O2
Molecular Weight304.3
XLogP3.1
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO
InChI
InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
InChIKey
OQQVFCKUDYMWGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CAS: 170632-47-0
CID: 5712
Formula: C19H16N2O2
MW: 304.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight304.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass304.121177757
Monoisotopic Mass304.121177757
Topological Polar Surface Area51.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes