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Antitumor agent-4

CAT: 0013-GTR19205143-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205143-02Size:50 mg
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Description
Antitumor agent-4 is a butenylphenyl phosphate derivative investigated for its biological effects. It has been studied in mammary cancer models and is associated with anovulatory sterility. Research applications include in vitro cytotoxicity assays and in vivo tumor growth inhibition studies.
CAS Number
115767-64-1
Smiles
C (=C (CC) C1=CC=C (C (C) C) C=C1) (C2=CC=C (OP (=O) (O) O) C=C2) C3=CC=C (OCCN (C) C) C=C3
Molecular Formula
C29H36NO5P
Molecular Weight
509.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Miproxifene Phosphate

Miproxifene phosphate is an aryl phosphate.

CAS Number115767-64-1
PubChem CID3034829
IUPAC Name[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] dihydrogen phosphate
Molecular FormulaC29H36NO5P
Molecular Weight509.6
XLogP4.3
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity724
SMILES
CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC=C(C=C2)OP(=O)(O)O)/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C29H36NO5P/c1-6-28(23-9-7-22(8-10-23)21(2)3)29(25-13-17-27(18-14-25)35-36(31,32)33)24-11-15-26(16-12-24)34-20-19-30(4)5/h7-18,21H,6,19-20H2,1-5H3,(H2,31,32,33)/b29-28+
InChIKey
QZUHFMXJZOUZFI-ZQHSETAFSA-N
Chemical Structure
2D Structure
2D structure of Miproxifene Phosphate
CAS: 115767-64-1
CID: 3034829
Formula: C29H36NO5P
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass509.23311025
Monoisotopic Mass509.23311025
Topological Polar Surface Area79.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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