China (Mainland)
Afimoxifene CAS NO.68392-35-8
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Keywords
- 4-OHT
- Phenol,4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]- (9CI)
- TamoGel
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- ProName: Afimoxifene
- CasNo: 68392-35-8
- Application: Molecular Structure of Afimoxifene (CA...
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- Purity: 99
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Superiority
Molecular Structure of Afimoxifene (CAS NO.68392-35-8):
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IUPAC Name: 4-[(Z)-1-[4-(2-Dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol
Molecular Formula: C26H29NO2
Molecular Weight: 387.51
Index of Refraction: 1.596
Molar Refractivity: 120.77 cm3
Molar Volume: 354.6 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.092 g/cm3
Flash Point: 264.9 °C
Enthalpy of Vaporization: 81.57 kJ/mol
Boiling Point: 514.4 °C at 760 mmHg
Vapour Pressure: 3.35E-11 mmHg at 25 °C
Canonical SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
Isomeric SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N
Classification Code: Estrogen Antagonists; Estrogen Receptor Modulators; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists
Details
Molecular Structure of Afimoxifene (CAS NO.68392-35-8):
IUPAC Name: 4-[(Z)-1-[4-(2-Dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol
Molecular Formula: C26H29NO2
Molecular Weight: 387.51
Index of Refraction: 1.596
Molar Refractivity: 120.77 cm3
Molar Volume: 354.6 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.092 g/cm3
Flash Point: 264.9 °C
Enthalpy of Vaporization: 81.57 kJ/mol
Boiling Point: 514.4 °C at 760 mmHg
Vapour Pressure: 3.35E-11 mmHg at 25 °C
Canonical SMILES: CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
Isomeric SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
InChI: InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N
Classification Code: Estrogen Antagonists; Estrogen Receptor Modulators; Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists