Compound - Results

Ketobemidone

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Information Structure
Name Ketobemidone
Synonyms
4-(m-Hydroxyphenyl)-1-methyl-4-piperidyl Ethyl Ketone
4-21-00-06106 (Beilstein Handbook Reference)
A 21 Lundbeck
BRN 0218226
Cetobemidon
Cetobemidona
Cetobemidone
Cetobemidonum
Chetobemidone
Ciba 7115
Cliradon
Cliradone
Cymidon
Cymidon (VAN)
EINECS 207-421-0
Ethyl (4-(m-hydroxyphenyl)-1-methyl)-4-piperidyl Ketone
Hoechst 10720
K 4710
Ketobemidone
Ketobemidonum
Ketone, Ethyl 4-(m-hydroxyphenyl)-1-methylpiperidyl
NSC 117863
WIN 1539
ATC N02AB01
CID 10101
CAS 000469794
SMILES CCC(=O)[C@@]1(CCN(C)CC1)C2=CC(O)=CC=C2
Formula C15H21NO2
Molweight 247.333
Atoms 18
LogP 2.2726
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
2B6Substrate 16278191
2C8Substrate 16278191
2C9Substrate 16278191
16278191
2C19Substrate 16278191
3A4Substrate 16278191
16278191
Pethidine

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Information Structure
Name Pethidine
Synonyms
1-Methyl-4-phenyl-piperidin-4-carbon-saeure-aethylester
1-Methyl-4-phenylisonipecotic Acid, Ethyl Ester
1-Methyl-4-phenylpiperidine-4-carboxylic Acid Ethyl Ester
4-Piperidinecarboxylic Acid, 1-methyl-4-phenyl-, Ethyl Ester
Demerol
EINECS 200-329-1
Ethyl 1-methyl-4-phenylisonipecotate
Ethyl 1-methyl-4-phenylpiperidine-4-carboxylate
HSDB 3116
Isonipecaine
Isonipecotic Acid, 1-methyl-4-phenyl-, Ethyl Ester
Meperidine
Meperidol
Methyl Phenylpiperidine Carbonic Acid Ethyl Ester
N-Methyl-4-phenyl-4-carbethoxypiperidine
Nemerol
Pethanol
Pethidin
Pethidine
Pethidineter
Pethidinum
Petidina
Petydyna
Phetidine
Pipersal
ATC N02AB02
CID 4058
CAS 000057421
Drugbank ID DB00454
TTD Drug ID DAP000230
SMILES CCOC(=O)[C@@]1(CCN(C)CC1)C2=CC=CC=C2
Formula C15H21NO2
Molweight 247.333
Atoms 18
LogP 2.151
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Inducer 7838134
2B6Substrate 15319333
2C19Substrate 15319333
15319333
3A4Substrate Inducer 15319333
7838134
15319333
3A5Inducer 7838134
Extrarenal fraction 0.9
Elimination half-life 6h
Fentanyl

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Information Structure
Name Fentanyl
Synonyms
1-Phenethyl-4-(N-phenylpropionamido)piperidine
1-Phenethyl-4-N-propionylanilinopiperidine
5-22-08-00049 (Beilstein Handbook Reference)
BRN 0494484
Durogesic
EINECS 207-113-6
Fentanest
Fentanil
Fentanila
Fentanyl
Fentanylum
HSDB 3329
N-(1-Phenethyl-4-piperidinyl)-N-phenylpropionamide
N-(1-Phenethyl-4-piperidyl)propionanilide
N-Phenethyl-4-(N-propionylanilino)piperidine
N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide
Phentanyl
R 4263
Sentonil
ATC N01AH01
N02AB03
CID 3345
CAS 000437387
Drugbank ID DB00813
TTD Drug ID DAP000072
SMILES CCC(=O)N([C@H]1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
Formula C22H28N2O
Molweight 336.471
Atoms 25
LogP 4.0746
Rotatable Bonds 7
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
3A4Substrate Inhibitor 8886601
umm
8886601
9311623
9264313
8712396
10562786
3A5Substrate 16419387
medicine.iupui.edu/flockhart
3A7Substrate medicine.iupui.edu/flockhart
Extrarenal fraction 0.9
Elimination half-life 3h