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CLR1501

CAT: 0013-GTR19342292-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19342292-02Size:50 mg
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Description
CLR1501 is a fluorescent analog of the tumor-targeting compound CLR1404, enabling selective visualization of cancer cells. It serves as a versatile research tool for in vitro cell imaging and in vivo tumor detection across various cancer models.
CAS Number
1250963-36-0
Molecular Weight
701.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
CAS Number1250963-36-0
PubChem CID49785785
IUPAC Name18-[4-(2,2-difluoro-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-8-yl)phenyl]octadecyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC38H59BF2N3O4P
Molecular Weight701.7
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count25
Heavy Atom Count49
Formal Charge0
Complexity1100
SMILES
[B-]1(N2C=CC=C2C(=C3[N+]1=CC=C3)C4=CC=C(C=C4)CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)(F)F
InChI
InChI=1S/C38H59BF2N3O4P/c1-44(2,3)31-33-48-49(45,46)47-32-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-22-34-25-27-35(28-26-34)38-36-23-20-29-42(36)39(40,41)43-30-21-24-37(38)43/h20-21,23-30H,4-19,22,31-33H2,1-3H3
InChIKey
MOFPGNQNEMXVDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,5-Difluoro-10-(4-(18-((oxido(2-(trimethylammonio)ethoxy)phosphoryl)oxy)octadecyl)phenyl)-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide
CAS: 1250963-36-0
CID: 49785785
Formula: C38H59BF2N3O4P
MW: 701.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight701.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count25
Exact Mass701.4304309
Monoisotopic Mass701.4304309
Topological Polar Surface Area66.5 Ų
Heavy Atom Count49
Formal Charge0
Complexity1100
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

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