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Cas Database |
| Name |
Terconazole |
EINECS | 267-751-6 |
| CAS No. | 67915-31-5 | Density | 1.35g/cm3 |
| PSA | 64.88000 | LogP | 4.46560 |
| Solubility | N/A | Melting Point |
126.3 ºC |
| Formula | C26H31 Cl2 N5 O3 | Boiling Point | 681.8°Cat760mmHg |
| Molecular Weight | 532.47 | Flash Point | 366.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36/37/38-53 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Piperazine,1-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-,cis-; (?à)-Terconazole; Fungistat;Gyno-Terazol; NSC 331942; R 42470; Terazol; Terazol Cream & Suppositories;Terconazole; Tercospor; Termayazole; Triaconazole |
Article Data | 1 |
Terconazole Synthetic route
- 67914-86-7
cis-[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
- 67914-97-0
4-(4-hydroxyphenyl)-1-(1-methylethyl)piperazine
- 67915-31-5
(+/-)-Terconazole
| Conditions | Yield |
|---|---|
| With sodium hydride 1.) Me2SO, 1 h, 2.) Me2SO, 80 deg C, 4 h; Yield given. Multistep reaction; |
- 38869-47-5
4-(p-methoxyphenyl)piperazine dihydrochloride
- 67915-31-5
(+/-)-Terconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2, NaOAc / 10percent Pd/C / methanol 2: 85 percent / 48percent HBr / Heating 3: 1.) NaH / 1.) Me2SO, 1 h, 2.) Me2SO, 80 deg C, 4 h View Scheme |
- 61397-56-6
(+/-)-cis-[2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-yl]methyl benzoate
- 67915-31-5
(+/-)-Terconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1.) NaH, 3.) aq. NaOH 2: 87 percent / pyridine 3: 1.) NaH / 1.) Me2SO, 1 h, 2.) Me2SO, 80 deg C, 4 h View Scheme |
- 67914-85-6
cis-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-methanol
- 67915-31-5
(+/-)-Terconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 87 percent / pyridine 2: 1.) NaH / 1.) Me2SO, 1 h, 2.) Me2SO, 80 deg C, 4 h View Scheme |
- 84499-46-7
4-(4-methoxyphenyl)-1-(1-methylethyl)piperazine
- 67915-31-5
(+/-)-Terconazole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 85 percent / 48percent HBr / Heating 2: 1.) NaH / 1.) Me2SO, 1 h, 2.) Me2SO, 80 deg C, 4 h View Scheme |
Terconazole Chemical Properties
Product Name: Terconazole (CAS NO.67915-31-5)
Molecular Formula: C26H31Cl2N5O3
Molecular Weight: 532.46g/mol
Mol File: 67915-31-5.mol
EINECS: 267-751-6
Melting Point: 126.3°C
Index of Refraction: 1.64
Molar Refractivity: 141.13 cm3
Molar Volume: 391.5 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.35 g/cm3
Flash Point: 366.2 °C
Enthalpy of Vaporization: 100.03 kJ/mol
Boiling Point: 681.8 °C at 760 mmHg
Vapour Pressure: 1.91E-18 mmHg at 25°C
XLogP3-AA: 4.8
H-Bond Donor: 0
H-Bond Acceptor: 7
Structure Descriptors of Terconazole (CAS NO.67915-31-5):
IUPAC Name: 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
Canonical SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
Isomeric SMILES: CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
InChIKey: BLSQLHNBWJLIBQ-OZXSUGGESA-N
Classification Code: Anti-Infective Agents; Antifungal; Antifungal agents
Terconazole Specification
Terconazole , its CAS NO. is 67915-31-5, the synonyms are Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-
1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel- ; Terazol Cream & Suppositories ; cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine .
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