IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl N-(propan-2-yl)carbamate
SMILES
CCCC(C)(COC(N)=O)COC(=O)NC(C)C
Compound class
Muscle Relaxants, Central; Neuromuscular Agents; Muscle Relaxants, Skeletal; Musculo-Skeletal System; Muscle Relaxants, Centrally Acting Agents; Muscle Relaxants; Carbamic Acid Esters; Cytochrome P-450 CYP2C19 Inducers;
Therapeutic area
For the relief of discomfort associated with acute, painful, musculoskeletal conditions.
Common name
Carisoprodol
IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl N-(propan-2-yl)carbamate
SMILES
CCCC(C)(COC(N)=O)COC(=O)NC(C)C
INCHI
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
FORMULA
C12H24N2O4
Common name
Carisoprodol
IUPAC name
2-[(carbamoyloxy)methyl]-2-methylpentyl N-(propan-2-yl)carbamate
Molecular weight
260.330
clogP
0.858
clogS
-2.220
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
90.65
Number of Rings
0
Rotatable Bond
9
| 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 |
| 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 |
| FDBF00866 | methyl N-isopropylcarbamate |
|
O(C(=O)NC(C)C)C | 0.0007 |
12 ,
2
