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Chemical structure of Antitumor Compound 2

GC33386

Antitumor Compound 2

Also known as [4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-propan-2-ylphenyl)but-1-enyl]phenyl] dihydrogen phosphate

Antitumor Compound 2, a butenylphenyl phosphate derivative, is a drug for mammary cancer and anovulatory sterility

ChemicalCAS115767-64-1MW509.57FormulaC29H36NO5P
CAS number
115767-64-1
Molecular weight
509.57
Formula
C29H36NO5P
Solubility
Soluble in DMSO
InChIKey
QZUHFMXJZOUZFI-ZQHSETAFSA-N
Catalogue number
GC33386
Brand
GLPBIO
Computed properties PubChem CID 3034829 · XLogP 4.3 · TPSA 79.2 Ų · H-bond donors 2
XLogP
4.3
TPSA
79.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
36

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

Computed descriptors from PubChem (CID 3034829), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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