IUPAC name
1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
SMILES
CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Compound class
Antifungal Agents; Genito Urinary System and Sex Hormones; Gynecological Antiinfectives and Antiseptics; Triazole Derivatives;
Therapeutic area
For the treatment of candidiasis (a yeast-like fungal infection) of the vulva and vagina.
Common name
Terconazole
IUPAC name
1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
SMILES
CC(C)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
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
FORMULA
C26H31Cl2N5O3
Common name
Terconazole
IUPAC name
1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine
Molecular weight
532.462
clogP
3.805
clogS
-5.949
HBond Acceptor
7
HBond Donor
0
Total Polar Surface Area
64.88
Number of Rings
5
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00261 | 1-methyl-1,2,4-triazole |
|
n1(ncnc1)C | 0.0038 |
| FDBF00270 | 1H-1,2,4-triazole |
|
[nH]1ncnc1 | 0.0045 |
| FDBF00519 | 2-methyl-1,3-dioxolane |
|
O1C(OCC1)C | 0.0027 |
| FDBF00521 | 1-isopropyl-4-phenyl-piperazine |
|
N1(CCN(CC1)c2ccccc2)C(C)C | 0.0003 |
| FDBF00523 | (2R,4S)-2,4-dimethyl-1,3-dioxolane |
|
CC1OC(OC1)C | 0.0010 |
| FDBF00526 | [(2R,4S)-2-methyl-1,3-dioxolan-4-yl]methanol |
|
OCC1OC(OC1)C | 0.0010 |
| FDBF00527 | 1-(4-methoxyphenyl)piperazine |
|
O(C)c1ccc(cc1)N2CCNCC2 | 0.0010 |
