IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate
SMILES
CCCC(C)(COC(N)=O)COC(N)=O
Compound class
Anti-Anxiety Agents; Hypnotics and Sedatives; Anticonvulsants; Muscle Relaxants, Central; Nervous System; Anxiolytics; Psycholeptics; Carbamates; Cytochrome P-450 CYP2C19 Inducers; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong);
Therapeutic area
For the management of anxiety disorders or for the short-term relief of the symptoms of anxiety.
Common name
Meprobamate
IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate
SMILES
CCCC(C)(COC(N)=O)COC(N)=O
INCHI
InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
FORMULA
C9H18N2O4
Common name
Meprobamate
IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl carbamate
Molecular weight
218.250
clogP
-0.279
clogS
-0.991
HBond Acceptor
4
HBond Donor
4
Total Polar
Surface Area
104.64
Number of Rings
0
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00124 | 2-methylpentane |
|
C(C)CC(C)C | 0.0052 |
| FDBF00692 | methyl carbamate |
|
O(C(=O)N)C | 0.0117 |
| FDBF00808 | propyl carbamate |
|
C(CC)OC(=O)N | 0.0017 |
| FDBF00809 | isobutyl carbamate |
|
C(C(C)C)OC(=O)N | 0.0007 |
| FDBF00810 | neopentane |
|
CC(C)(C)C | 0.0031 |
| FDBF00811 | 2,2-dimethylpropyl carbamate |
|
C(C(C)(C)C)OC(=O)N | 0.0007 |
| FDBF00812 | 2,2-dimethylpentane |
|
C(C)CC(C)(C)C | 0.0007 |
10 ,
2
