Compound - Results

Droperidol

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Information Structure
Name Droperidol
Synonyms
1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
5-24-02-00388 (Beilstein Handbook Reference)
BRN 0579168
Dehydrobenzoperidol
Dehydrobenzperidol
Deidrobenzperidolo
DHBP
Dridol
Droleptan
Droperidol
Droperidolo
Droperidolum
EINECS 208-957-8
Halkan
HSDB 3320
Inapsin
Inapsine
Inopsin
McN-JR-4749
NSC 169874
Properidol
R 4749
R-4749
R4749
Sintodril
Sintosian
Vetkalm
ATC N01AX01
N05AD08
CID 3168
CAS 000548732
Drugbank ID DB00450
TTD Drug ID DAP000412
SMILES FC1=CC=C(C=C1)C(=O)CCCN2CCC(=CC2)N3C(=O)NC4=C3C=CC=C4
Formula C22H22FN3O2
Molweight 379.427
Atoms 28
LogP 3.6163
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 5
Extrarenal fraction 1
Elimination half-life 2.2h
Ketamine

Java required.


Information Structure
Name Ketamine
Synonyms
(+-)-Ketamine
2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone
2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone
BRN 2216965
Cetamina
CI 581 Base
CLSTA 20
Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-
dl-Ketamine
EINECS 229-804-1
Ketaject
Ketamine
Ketaminum
NSC 70151
ATC N01AX03
CID 3821
CAS 006740881
Drugbank ID DB01221
TTD Drug ID DAP001148
SMILES CN[C@]1(CCCCC1=O)C2=C(Cl)C=CC=C2
Formula C13H16ClNO
Molweight 237.725
Atoms 16
LogP 3.2887
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2B6Substrate umm
12065445
11353758
12065445
2C8Substrate umm
2C9Substrate 12065445
umm
12065445
11353758
3A4Substrate 12065445
11353758
12065445
umm
Phase2 interactions
NameReferences
NAT 12012027
UGT 18390394
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 17317002
P11166Solute carrier family 2, facilitated glucose transporter member 110927023
P78381UDP-galactose translocator18390394
Q9NRA2SLC17A5 15860116
Extrarenal fraction 1
Elimination half-life 3h
Propanidid

Java required.


Information Structure
Name Propanidid
Synonyms
(3-Methoxy-4-((N,N-diethylcarbamido)methoxy)phenyl)acetic Acid N-propyl Ester
(4-((Diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetic Acid Propyl Ester
(p-((Diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetic Acid Propyl Ester
13245 R. P.
2180 TH
4-(2-(Diethylamino)-2-oxoethoxy)-3-methoxybenzeneacetic Acid Propyl Ester
Acetic Acid, (p-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)-, Propyl Ester
BAY 1420
Bayer 1420
BRN 2952046
EINECS 215-822-7
Epontol
Fabantol
Fabontal
FBA 1420
Propanidid
Propanidide
Propanidido
Propanididum
Propantan
Propyl 4-((diethylcarbamoyl)methoxy)-3-methoxyphenyl Acetate
Propyl(4-((diethylcarbamoyl)methoxy)-3-methoxyphenyl)acetate
Sombrevin
TH-2180
WH 5668
ATC N01AX04
CID 15004
CAS 001421143
SMILES CCCOC(=O)CC1=CC(OC)=C(OCC(=O)N(CC)CC)C=C1
Formula C18H27NO5
Molweight 337.411
Atoms 24
LogP 2.4381
Rotatable Bonds 12
H-Bond Donors 0
H-Bond Acceptors 5
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 17317002
P11166Solute carrier family 2, facilitated glucose transporter member 110927023
P78381UDP-galactose translocator18390394
Q9NRA2SLC17A5 15860116
Alfaxalone

Java required.


Information Structure
Name Alfaxalone
Synonyms
(3-alpha,5-alpha)-3-Hydroxypregnane-11,20-dione
3-alpha-Hydroxy-5-alpha-pregnane-11,20-dione
3-Hydroxypregnane-11,20-dione
3alpha-Hydroxy-5alpha-pregnan-11,20-dion
3alpha-Hydroxy-5alpha-pregnane-11,20-dione
4-08-00-02091 (Beilstein Handbook Reference)
5alpha-Pregnan-3alpha-ol-11,20-dione
Alfaxalona
Alfaxalone
Alfaxalonum
Alphaxalone
BRN 3217240
GR 2/234
ATC N01AX05
CID 104845
CAS 023930190
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Formula C21H32O3
Molweight 332.477
Atoms 30
LogP 3.7742
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
A2RUN4Solute carrier family 6 (Neurotransmitter transporter, dopamine), member 3 17317002
P11166Solute carrier family 2, facilitated glucose transporter member 110927023
P78381UDP-galactose translocator18390394
Q9NRA2SLC17A5 15860116
Etomidate

Java required.


Information Structure
Name Etomidate
Synonyms
(+)-Ethyl 1-(alpha-methylbenzyl)imidazole-5-carboxylate
(+)-Etomidate
(d)-Etomidate
(R)-(+)-1-(alpha-Methylbenzyl)imidazole-5-carboxylic Acid Ethyl Ester
1-(1-Phenylethyl)-1H-imidazole-5-carboxylic Acid Ethyl Ester
1-(alpha-Methylbenzyl)-1H-imidazole-5-carboxylic Acid Ethyl Ester
1H-Imidazole-5-carboxylic Acid, 1-(1-phenylethyl)-, Ethyl Ester, (R)-
5-25-04-00085 (Beilstein Handbook Reference)
Amidate
Amidate (pharmaceutical)
BRN 0665833
D-Etomidate
EINECS 251-385-9
Etomidate
Etomidato
Etomidatum
Hypnomidate
R 16659
R-(+)-Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
Radenarcon
ATC N01AX07
CID 36339
CAS 033125972
TTD Drug ID DAP000669
SMILES CCOC(=O)C1=CN=CN1[C@@H](C)C2=CC=CC=C2
Formula C14H16N2O2
Molweight 244.289
Atoms 18
LogP 2.6691
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
11B1Inhibitor 8312688
11996015
17487473
11B2Inhibitor 8312688
19AInhibitor 12089342
Transporter
AC-No.NameReferences
P11166GLUT-1 10927023
Extrarenal fraction 1
Elimination half-life 4.6h
Propofol

Java required.


Information Structure
Name Propofol
Synonyms
2,6-Bis(1-methylethyl)phenol
2,6-Diisopropylphenol
4-06-00-03435 (Beilstein Handbook Reference)
AI3-26295
Aquavan
BRN 1866484
Diisopropylphenol
Diprivan
Diprivan Injectable Emulsion
EINECS 218-206-6
ICI 35868
NSC 5105
Propofol
Propofolum
ATC N01AX10
CID 4943
CAS 002078548
Drugbank ID DB00818
TTD Drug ID DAP000662
SMILES CC(C)C1=CC=CC(C(C)C)=C1O
Formula C12H18O
Molweight 178.271
Atoms 13
LogP 3.639
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 1
CYP interactions
NameRelationsReferences
1A1Inhibitor 7772432
1A2Substrate Inhibitor 12234619
umm
9764927
2A6Substrate umm
9771309
2B6Substrate 11135730
14515060
11298076
11135730
15769884
17620218
2C8Substrate umm
9771309
2C9Substrate Inhibitor 11135730
11135730
9764927
2C18Substrate 9771309
2C19Substrate umm
9771309
2D6Substrate Inhibitor umm
9764927
2E1Substrate Inhibitor 12234619
umm
7772432
3A4Substrate Inhibitor umm
12970884
11135730
9771309
12234619
Transporter
AC-No.NameReferences
P11166GLUT-1 10927023
P30531Sodium- and chloride-dependent GABA transporter 1 12351264
P78381SLC35A215378558
Q86UG4Solute carrier organic anion transporter family member 6A1 10895755
Extrarenal fraction 1
Elimination half-life 5h
Hydroxybutyric Acid

Java required.


Information Structure
Name Hydroxybutyric acid
Synonyms
4-03-00-00774 (Beilstein Handbook Reference)
4-Hydroxybutanoic Acid
4-Hydroxybutyric Acid
BRN 1720582
Butyric Acid, 4-hydroxy-
gamma-Hydroxybutyrate
gamma-Hydroxybutyric Acid
GHB
ATC N01AX11
N07XX04
CID 10413
CAS 000591811
SMILES OCCCC(O)=O
Formula C4H8O3
Molweight 104.105
Atoms 7
LogP -0.1565
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
P53985Solute carrier family 16 member 117108059
Nitrous Oxide

Java required.


Information Structure
Name Nitrous oxide
Synonyms
CCRIS 1225
Dinitrogen Monoxide
Dinitrogen Oxide
EINECS 233-032-0
Factitious Air
FEMA No. 2779
HSDB 504
Hyponitrous Acid Anhydride
Laughing Gas
Nitrogen Hypoxide
Nitrogen Monoxide
Nitrogen Oxide
Nitrogen Oxide (N2O)
Nitrogen Protoxide
Nitrous Oxide
Nitrous Oxide, Compressed
Nitrous Oxide, Refrigerated Liquid
Oxido Nitroso
Protoxyde Dazote
Stickdioxyd
ATC N01AX13
CID 84878
CAS 010024972
SMILES [N-]=[N+]=O
Formula H2NO
Molweight 32.022
Atoms 2
LogP -0.04922
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
Transporter
AC-No.NameReferences
P53985Solute carrier family 16 member 117108059
Esketamine

Java required.


Information Structure
Name Esketamine
Synonyms
(+-)-Ketamine
2-(Methylamino)-2-(2-chlorophenyl)cyclohexanone
2-(o-Chlorophenyl)-2-(methylamino)-cyclohexanone
BRN 2216965
Cetamina
CI 581 Base
CLSTA 20
Cyclohexanone, 2-(o-chlorophenyl)-2-(methylamino)-, (+-)-
dl-Ketamine
EINECS 229-804-1
Esketamine
Ketaject
Ketamine
Ketaminum
NSC 70151
ATC N01AX14
CID 182137
CAS 033643468
Drugbank ID DB01221
SMILES CN[C@@]1(CCCCC1=O)C2=C(Cl)C=CC=C2
Formula C13H16ClNO
Molweight 237.725
Atoms 16
LogP 3.2887
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2B6Substrate 12065445
2C9Substrate 12065445
3A4Substrate 12065445
Phase2 interactions
NameReferences
NAT 12012027
UGT 18390394
Transporter
AC-No.NameReferences
P53985Solute carrier family 16 member 117108059
Xenon

Java required.


Information Structure
Name xenon
Synonyms
(135xe)xenon
00472_fluka
178980-04-6
7440-63-3
ac1l2n4v
ar-1a0157
c13373
chebi:49956
chebi:49957
chembl1236802
cid23991
d014978
d01901
einecs 231-172-7
kst-1a2126
ls-162568
molport-001-770-634
or8483
un2036
un2591
xe
xenon
xenon (jan)
xenon Atom
xenon Xe 133
xenon(0)
xenon, Compressed [un2036] [nonflammable Gas]
xenon, Compressed [un2036] [nonflammable Gas]
xenon, Refrigerated Liquid (cryogenic Liquids) [un2591] [nonflammable Gas]
xenon, Refrigerated Liquid (cryogenic Liquids) [un2591] [nonflammable Gas]
xenopure
xenopure (tn)
[xe]
ATC N01AX15
CID 23991
CAS cid23991
Formula C13H16ClNO
Molweight 237.725
Atoms 16
LogP 3.2887
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 2
Transporter
AC-No.NameReferences
P53985Solute carrier family 16 member 117108059