Compound - Results

Cromoglicic Acid

Java required.


Information Structure
Name Cromoglicic acid
Synonyms
1,3-Bis(2-carboxychromon-5-yloxy)-2-hydroxypropane
1,3-Di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol
4H-1-Benzopyran-2-carboxylic Acid, 5,5-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-
4H-1-Benzopyran-2-carboxylic Acid, 5,5-((2-hydroxytrimethylene)dioxy)bis(4-oxo-
5,5-(2-Hydroxytrimethylenedioxy)bis(4-oxochromene-2-carboxylic Acid)
Acide Cromoglicique
Acido Cromoglicico
Acidum Cromoglicicum
Cromoglicic Acid
Cromoglycic Acid
Cromolyn
EINECS 240-279-8
HSDB 3308
ATC A07EB01
R01AC01
R03BC01
S01GX01
D11AX17
D11AH03
CID 27686
CAS 016110513
TTD Drug ID DAP000819
SMILES O[C@H](COC1=CC2=C(OC(=CC2=O)C(O)=O)C=C1)COC3=CC=CC4=C3C(=O)C=C(O4)C(O)=O
Formula C23H16O11
Molweight 468.367
Atoms 34
LogP 2.1145
Rotatable Bonds 8
H-Bond Donors 0
H-Bond Acceptors 11
Extrarenal fraction 0.6
Elimination half-life 1.4h
Levocabastine

Java required.


Information Structure
Name Levocabastine
Synonyms
Levocabastina
Levocabastine
Levocabastinum
ATC R01AC02
S01GX02
CID 54385
CAS 079516680
Drugbank ID DB01106
TTD Drug ID DAP000335
SMILES C[C@@H]1CN(CC[C@]1(C(O)=O)C2=CC=CC=C2)[C@@H]3CC[C@@](CC3)(C#N)C4=CC=C(F)C=C4
Formula C26H29FN2O2
Molweight 420.519
Atoms 33
LogP 4.83198
Rotatable Bonds 4
H-Bond Donors 0
H-Bond Acceptors 5
Spaglumic Acid

Java required.


Information Structure
Name Spaglumic acid
Synonyms
Spaglumic Acid
ATC R01AC05
S01GX03
CID 188803
CAS 004910467
SMILES CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Formula C11H16N2O8
Molweight 304.253
Atoms 23
LogP -0.8182
Rotatable Bonds 11
H-Bond Donors 0
H-Bond Acceptors 10
Nedocromil

Java required.


Information Structure
Name Nedocromil
Synonyms
9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)chinolin-2,8-dicarbonsaeure
9-Ethyl-6,9-dihydro-4,6-dioxo-10-propyl-4H-pyrano(3,2-g)quinoline-2,8-dicarboxylic Acid
FPL 59002
Nedocromil
Nedocromilo
Nedocromilum
ATC R01AC07
R03BC03
S01GX04
CID 50294
CAS 069049736
Drugbank ID DB00716
SMILES CCCC1=C2N(CC)C(=CC(=O)C2=CC3=C1OC(=CC3=O)C(O)=O)C(O)=O
Formula C19H17NO7
Molweight 371.341
Atoms 27
LogP 2.4767
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 7
Lodoxamide

Java required.


Information Structure
Name Lodoxamide
Synonyms
Lodoxamida
Lodoxamide
Lodoxamidum
N,N-(2-Chlor-5-cyan-3-phenylen)dioxamsaeure
ATC S01GX05
CID 44564
CAS 053882125
SMILES OC(=O)C(=O)NC1=CC(=CC(NC(=O)C(O)=O)=C1Cl)C#N
Formula C11H6ClN3O6
Molweight 311.635
Atoms 21
LogP 0.40388
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 9
Emedastine

Java required.


Information Structure
Name Emedastine
Synonyms
1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazo)-2-yl)(1,4)diazepane
Emadine
Emedastina
Emedastine
Emedastinum
ATC S01GX06
CID 3219
CAS 087233612
Drugbank ID DB01084
TTD Drug ID DAP001067
SMILES CCOCCN1C2=C(C=CC=C2)N=C1N3CCCN(C)CC3
Formula C17H26N4O
Molweight 302.415
Atoms 22
LogP 2.2176
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 3
Azelastine

Java required.


Information Structure
Name Azelastine
Synonyms
4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
Azelastina
Azelastine
Azelastinum
BRN 0900747
ATC R01AC03
R06AX19
S01GX07
CID 2267
CAS 058581898
Drugbank ID DB00972
TTD Drug ID DAP000332
SMILES CN1CCC[C@@H](CC1)N2N=C(CC3=CC=C(Cl)C=C3)C4=CC=CC=C4C2=O
Formula C22H24ClN3O
Molweight 381.898
Atoms 27
LogP 4.2354
Rotatable Bonds 3
H-Bond Donors 0
H-Bond Acceptors 3
CYP interactions
NameRelationsReferences
1A2Substrate 10421623
umm
2A6Inhibitor 10383922
2B6Inhibitor umm
2C9Inhibitor 10383922
10383922
2C19Substrate Inhibitor 10383922
10383922
umm
10421623
2D6Substrate Inhibitor 10421623
umm
10421623
10570018
10383922
2E1Inhibitor 10383922
3A4Substrate Inhibitor 10570018
10383922
9506001
10421623
10383922
Extrarenal fraction 0.7
Elimination half-life 20 h
Ketotifen

Java required.


Information Structure
Name Ketotifen
Synonyms
4,9-Dihydro-4-(1-methyl-4-piperidinylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-one
BRN 3983897
EINECS 252-099-7
HC 20-511
Ketotifen
Ketotifene
Ketotifeno
Ketotifenum
ATC R06AX17
S01GX08
CID 3827
CAS 034580137
Drugbank ID DB00920
TTD Drug ID DAP000329
SMILES CN1CCC(CC1)=C2C3=C(CC(=O)C4=C2C=CS4)C=CC=C3
Formula C19H19NOS
Molweight 309.425
Atoms 22
LogP 3.9523
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
Extrarenal fraction 1
Elimination half-life 20h
Olopatadine

Java required.


Information Structure
Name Olopatadine
Synonyms
Olopatadine
Patanol
ATC S01GX09
CID 5281071
CAS 113806056
Drugbank ID DB00768
TTD Drug ID DAP001062
SMILES CN(C)CCC=C1C2=C(COC3=C1C=C(CC(O)=O)C=C3)C=CC=C2
Formula C21H23NO3
Molweight 337.412
Atoms 26
LogP 3.5895
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 4
CYP interactions
NameRelationsReferences
3A4Substrate 12433826
12433826
Epinastine

Java required.


Information Structure
Name Epinastine
Synonyms
(+-)-Epinastine
Epinastina
Epinastine
Epinastinum
WAL 801
ATC R06AX24
S01GX10
CID 3241
CAS 080012437
Drugbank ID DB00751
TTD Drug ID DAP001074
SMILES NC1=NC[C@H]2N1C3=C(CC4=C2C=CC=C4)C=CC=C3
Formula C16H15N3
Molweight 249.31
Atoms 19
LogP 2.6677
Rotatable Bonds 0
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2B6Substrate 9485522
9485522
2D6Substrate Inhibitor 9485522
9485522
3A4Substrate 9485522
9485522
Antazoline

Java required.


Information Structure
Name Antazoline
Synonyms
2-(N-Benzylanilinomethyl)-2-imidazoline
2-(N-Phenyl-N-benzylaminomethyl)imidazoline
2-Phenyl-benzyl-amino-methylimidazolin
4,5-Dihydro-N-phenyl-N-phenylmethyl-1H-imidazole-2-methanamine
5-25-09-00364 (Beilstein Handbook Reference)
5512-M
Antastan
Antasten
Antazolin
Antazolina
Antazoline
Antazolinum
Antihistal
Antistin
Antistine
Azalone
Ben-A-hist
BRN 0233924
EINECS 202-094-0
Histostab
HSDB 6506
Imidamin
Imidamine
Phenazolin
Phenazoline
ATC R01AC04
R06AX05
S01GX15
CID 2200
CAS 000091758
TTD Drug ID DAP001347
SMILES C1CN=C(CN(CC2=CC=CC=C2)C3=CC=CC=C3)N1
Formula C17H19N3
Molweight 265.353
Atoms 20
LogP 2.4593
Rotatable Bonds 5
H-Bond Donors 0
H-Bond Acceptors 2
Diphenhydramin

Java required.


Information Structure
Name Diphenhydramin
Synonyms
2-(Benzhydryloxy)-N,N-dimethylethylamine
2-(Diphenylmethoxy)-N,N-dimethylethylamine
4-10-00-00125 (Beilstein Handbook Reference)
Alledryl
Allergical
alpha-(2-Dimethylaminoethoxy)diphenylmethane
Amidryl
Antistominum
Antomin
Automin
Bagodryl
Baramine
Benachlor
Benadrin
Benapon
Benodin
Benodine
Benylan
Benzantine
Benzhydramine
Benzhydraminum
Benzhydril
Benzhydroamina
beta-Dimethylamino-aethyl-benzhydryl-aether
beta-Dimethylaminoethanol Diphenylmethyl Ether
beta-Dimethylaminoethylbenzhydrylether
Betramin
BRN 1914136
CCRIS 1959
Dabylen
Debendrin
Dermistina
Dermodrin
Desentol
Diabenyl
Diabylen
Dibondrin
Difedryl
Difenhidramina
Difenhydramin
Difenidramina
Dihidral
Dimedrol Base
Diphantine
Diphenhydramin
Diphenhydramine
Diphenhydraminum
Drylistan
Dylamon
EINECS 200-396-7
Etanautine
Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-
Ethylamine, N,N-dimethyl-2-(diphenylmethoxy)-
FAR 90X2
Histaxin
HSDB 3066
Hyadrine
Ibiodral
Medidryl
Mephadryl
N-(2-(Diphenylmethoxy)ethyl)-N,N-dimethylamine
N-(Benzhydryloksy-etylo)dwumetyloamina
Nausen
Novamina
O-Benzhydryldimethylaminoethanol
PM 255
Probedryl
Rigidyl
S51
Syntedril
ATC A04AB05
N01BX06
N04AB01
N05CM20
R06AA02
S01GX16
D04AA32
CID 3100
CAS 000058731
Drugbank ID DB01075
TTD Drug ID DAP000490
SMILES CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
Formula C17H21NO
Molweight 255.355
Atoms 19
LogP 3.3542
Rotatable Bonds 6
H-Bond Donors 0
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
2D6Substrate Inhibitor 11270914
10824625
12678691
15718288
umm
17020955
9616188
7853212
7980647
11270914
12678691
Extrarenal fraction 0.9
Elimination half-life 4h