IUPAC name
N-(4-{4-methyl-3,5,9-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(14),2(6),3,10,12-pentaene-9-carbonyl}phenyl)-2-phenylbenzamide
SMILES
CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1
Compound class
Diuretics; Cardiovascular System; Vasopressin Antagonists; CYP3A4 Inhibitors; Antidiuretic Hormone Receptor Antagonists;
Therapeutic area
For the treatment of euvolemic or hypervolemic hyponatremia (e.g. the syndrome of inappropriate secretion of antidiuretic hormone, or in the setting of hypothyroidism, adrenal insufficiency, pulmonary disorders, etc.) in hospitalized patients.
Common name
Conivaptan
IUPAC name
N-(4-{4-methyl-3,5,9-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(14),2(6),3,10,12-pentaene-9-carbonyl}phenyl)-2-phenylbenzamide
SMILES
CC1=NC2=C(CCN(C(=O)C3=CC=C(NC(=O)C4=CC=CC=C4C4=CC=CC=C4)C=C3)C3=CC=CC=C23)N1
INCHI
InChI=1S/C32H26N4O2/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37)
FORMULA
C32H26N4O2
Common name
Conivaptan
IUPAC name
N-(4-{4-methyl-3,5,9-triazatricyclo[8.4.0.0²,⁶]tetradeca-1(14),2(6),3,10,12-pentaene-9-carbonyl}phenyl)-2-phenylbenzamide
Molecular weight
498.574
clogP
6.040
clogS
-8.777
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
78.09
Number of Rings
6
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00048 | benzamide |
|
O=C(N)c1ccccc1 | 0.0117 |
| FDBF01952 | N-phenylbenzamide |
|
c1(ccccc1)C(=O)Nc2ccccc2 | 0.0010 |
| FDBF01953 | 2-phenylbenzamide |
|
c1(c(cccc1)c2ccccc2)C(=O)N | 0.0007 |
| FDBF01954 | 2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbaldehyde |
|
O=CN1CCc2[nH]c(nc2-c3c1cccc3)C | 0.0003 |
