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Sarcolysine acridine

CAT: 0013-GTR19222821-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222821-01Size:100 mg
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Description
Sarcolysine acridine is a bioactive small molecule compound used in biochemical research. It has been investigated in vitro for its potential interactions with biological targets and in vivo within experimental oncology models to study its effects.
CAS Number
53161-31-2
Smiles
N ([C@@H] (CC1=CC=C (N (CCCl) CCCl) C=C1) C (O) =O) C=2C3=C (N=C4C2C=CC=C4) C=CC=C3.Cl
Molecular Formula
C26H26Cl3N3O2
Molecular Weight
518.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sarcolysine acridine
CAS Number53161-31-2
PubChem CID3037494
IUPAC Name(2S)-2-(acridin-9-ylamino)-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid;hydrochloride
Molecular FormulaC26H26Cl3N3O2
Molecular Weight518.9
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity588
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N[C@@H](CC4=CC=C(C=C4)N(CCCl)CCCl)C(=O)O.Cl
InChI
InChI=1S/C26H25Cl2N3O2.ClH/c27-13-15-31(16-14-28)19-11-9-18(10-12-19)17-24(26(32)33)30-25-20-5-1-3-7-22(20)29-23-8-4-2-6-21(23)25;/h1-12,24H,13-17H2,(H,29,30)(H,32,33);1H/t24-;/m0./s1
InChIKey
GGHBELMGCPMLSE-JIDHJSLPSA-N
Chemical Structure
2D Structure
2D structure of Sarcolysine acridine
CAS: 53161-31-2
CID: 3037494
Formula: C26H26Cl3N3O2
MW: 518.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass517.109060
Monoisotopic Mass517.109060
Topological Polar Surface Area65.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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