CAS 145687-07-6 | Benzoxazolium, 2-[3-(3-docosyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-3-propyl-, iodide (1:1) | CAS Number 145687-07-6

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145687-07-6 | Benzoxazolium, 2-[3-(3-docosyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-3-propyl-, iodide (1:1)

CAS No: 145687-07-6 Catalog No: AG001DB8 MDL No:

Product Description

Catalog Number:

AG001DB8

Chemical Name:

Benzoxazolium, 2-[3-(3-docosyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-3-propyl-, iodide (1:1)

CAS Number:

145687-07-6

Molecular Formula:

C42H63IN2O2

Molecular Weight:

754.8663

IUPAC Name:

3-docosyl-2-[3-(3-propyl-2H-1,3-benzoxazol-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide

InChI:

InChI=1S/C42H64N2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-44-38-30-24-26-32-40(38)46-42(44)34-28-33-41-43(35-4-2)37-29-23-25-31-39(37)45-41;/h23-26,28-34,41H,3-22,27,35-36H2,1-2H3;1H/p-1

InChI Key:

RMSRBCCWZVMFSJ-UHFFFAOYSA-M

SMILES:

CCCCCCCCCCCCCCCCCCCCCCn1c(=CC=Cc2oc3c([n+]2CCC)cccc3)oc2c1cccc2.[I-]

Properties

Complexity:

827

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

755.401g/mol

Formal Charge:

-1

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

755.89g/mol

Monoisotopic Mass:

755.401g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

24.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Mature hepatocytes exhibit unexpected plasticity by direct dedifferentiation into liver progenitor cells in culture.	Hepatology (Baltimore, Md.) 20120201
Monocyte urokinase-type plasminogen activator up-regulation reduces thrombus size in a model of venous thrombosis.	Journal of vascular surgery 20091101