Compound - Results

Betazole

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Information Structure
Name Betazole
Synonyms
Betazol
Betazole
Betazolo
Betazolum
EINECS 203-278-3
ATC V04CG02
CID 7741
CAS 000105204
Drugbank ID DB00272
TTD Drug ID DAP001081
SMILES NCCC1=NNC=C1
Formula C5H9N3
Molweight 111.145
Atoms 8
LogP 0.6112
Rotatable Bonds 2
H-Bond Donors 0
H-Bond Acceptors 3
Histamine

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Information Structure
Name Histamine
Synonyms
1H-Imidazole-4-ethanamine
2-(4-Imidazolyl)ethylamine
4-(2-Aminoethyl)-1H-imidazole
5-Imidazoleethylamine
beta-Aminoethylglyoxaline
beta-Aminoethylimidazole
beta-Imidazolyl-4-ethylamine
CCRIS 6535
EINECS 200-100-6
Eramin
Ergamine
Ergotidine
Ethylamine, 2-imidazol-4-yl-
Free Histamine
Histamine
HSDB 3338
Imidazole, 4-(2-aminoethyl)-
Imidazole-4-ethylamine
Istamina
NSC 33792
Theramine
ATC V04CG03
CID 774
CAS 000051456
TTD Drug ID DNC000732
Herbal origin Combined Spicebush Root
rhizome and root of black falsehellebore
SMILES NCCC1=CNC=N1
Formula C5H9N3
Molweight 111.145
Atoms 8
LogP 0.6112
Rotatable Bonds 2
H-Bond Donors 2
H-Bond Acceptors 2
CYP interactions
NameRelationsReferences
1A1Inducer 17431589
2A6Inhibitor 17237153
2C9Substrate Inhibitor 15585441
2D6Inhibitor 12657913
2E1Inducer 17431589
3A4Substrate Inhibitor 15585441
Phase2 interactions
NameReferences
MET 12358773,
12417108,
9547362,
16648665,
8448680,
17562176,
18266724,
3159351,
19538200,
8978720,
8780048,
7616240,
7822670,
15693910,
1530666,
7943261,
16168438,
10803682,
10712622,
10051705,
10858271,
11880199,
14667820,
18086566,
15551002,
18154359,
2849794
Transporter
AC-No.NameReferences
O15244Solute carrier family 22 member 29687576
P54219Vesicular amine transporter 18860238
P55851UCP2 17635071
Pentagastrin

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Information Structure
Name Pentagastrin
Synonyms
Alaninamide, N-carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-, N-tert-butyl Ester, L-
AY 6608
Boc-beta-ala-try-met-asp-phe(nh2)
BRN 5472892
EINECS 226-889-7
Gastrodiagnost
HSDB 3247
ICI 50123
L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-
N-(alpha-Carbamoylphenethyl)-3-(2-(2-(3-(carboxyamino)propionamido)-3-indol-3-ylpropionamido)-4-(methylthio)butyramido)succinamic Acid N-tert-butyl Es
N-(N-(N-(N-(N-tert-Butoxycarbonyl-beta-alanyl)-L-tryptophanyl)-L-methionyl)-L-aspartyl)-L-phenylalaninamide
N-Carboxy-beta-alanyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide N-tert-butyl Ester
N-t-Butyloxycarbonyl-beta-alanyl-L-tryptophyl-L-methion Yl-L-aspartyl-L-phenylalanine Amide
NSC 367746
Pentagastrin
Pentagastrina
Pentagastrine
Pentagastrinum
Peptavlon
Petogasrin
ATC V04CG04
CID 444007
CAS 005534952
Drugbank ID DB00183
TTD Drug ID DAP000260
SMILES CSCC[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC3=CC=CC=C3)C(N)=O
Formula C37H49N7O9S
Molweight 767.891
Atoms 58
LogP 4.0325
Rotatable Bonds 28
H-Bond Donors 0
H-Bond Acceptors 16
Transporter
AC-No.NameReferences
O15244Solute carrier family 22 member 29687576
P54219Vesicular amine transporter 18860238
P55851UCP2 17635071
Methylthioninium Chloride

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Information Structure
Name Methylthioninium chloride
Synonyms
3,7-Bis (dimethylamino) Phenazathionium Chloride
3,7-Bis(dimethylamino)-phenazathionium Chloride
3,7-Bis(dimethylamino)phenothiazin-5-ium Chloride
Aizen Methylene Blue BH
Aizen Methylene Blue FZ
Basic Blue 9
Bleu De Methylene
C.I. 52015
C.I. Basic Blue 9
Calcozine Blue ZF
Caswell No. 567
CCRIS 833
Ceruleum Methylenum
Chlorure De Methylthioninium
Chromosmon
CI 52015
CI Basic Blue 9
Cloruro De Metiltioninio
D And C Blue No. 1
D And C Blue Number 1
EINECS 200-515-2
EPA Pesticide Chemical Code 039505
Ext D And C Blue No. 1
External Blue 1
Hidaco Methylene Blue Salt Free
HSDB 1405
Leather Pure Blue HB
M-B Tabs
Methylenblau
Methylene Blue
Methylene Blue (medicinal)
Methylene Blue 2B
Methylene Blue 2BF
Methylene Blue 2BN
Methylene Blue 2BP
Methylene Blue A
Methylene Blue Anhydrous
Methylene Blue B
Methylene Blue BB
Methylene Blue BB (zinc Free)
Methylene Blue BBA
Methylene Blue BD
Methylene Blue BP
Methylene Blue BPC
Methylene Blue BX
Methylene Blue BZ
Methylene Blue Chloride
Methylene Blue Chloride (biological Stain)
Methylene Blue D
Methylene Blue FZ
Methylene Blue G
Methylene Blue GZ
Methylene Blue HGG
Methylene Blue I (medicinal)
Methylene Blue IAD
Methylene Blue JFA
Methylene Blue N
Methylene Blue NF (medicinal)
Methylene Blue NZ
Methylene Blue Polychrome
Methylene Blue SG
Methylene Blue SP
Methylene Blue USP (medicinal)
Methylene Blue USP XII (medicinal)
Methylene Blue ZF
Methylene Blue Zinc Free
Methylene Blue ZX
Methylenium Ceruleum
Methylenum Coeruleum
Methylthionine
Methylthionine Chloride
Methylthionini Chloridum
Methylthioninii Chloridum
Methylthioninium Chloride
Methylthionium Chloride
Metiltioninio Cloruro
Mitsui Methylene Blue
Modr Methylenova
Modr Rozpoustedlova 8
Modr Zasadita 9
NSC 215213
Phenothiazin-5-ium, 3,7-bis(dimethylamino)-, Chloride
Sandocryl Blue BRL
Schultz No. 1038
Solvent Blue 8
Swiss Blue
Tetramethylene Blue
Tetramethylthionine Chloride
Urolene Blue
X 138
Yamamoto Methylene Blue B
Yamamoto Methylene Blue ZF
ATC V03AB17
V04CG05
CID 6099
CAS 000061734
SMILES CN(C)C1=CC=C2N=C3C=CC(=CC3=[S+]C2=C1)N(C)C
Formula C16H18ClN3S
Molweight 319.852
Atoms 21
LogP -0.4971
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
O15244Solute carrier family 22 member 29687576
P54219Vesicular amine transporter 18860238
P55851UCP2 17635071
Caffeine And Sodium Benzoate

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Information Structure
Name caffeine and sodium benzoate
Synonyms
5743-17-9 (parent)
8000-95-1
annaca
benzoic Acid, Sodium Salt, Mixt. With 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione
benzoic Acid, Sodium Salt, Mixt. With 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione (9ci)
c8h10n4o2.c7h5o2.na
caffeine And Sodium Benzoate
caffeine Benzoate Sodium
caffeine Benzoate, Sodium Salt
caffeine Sodium Benzoate
caffeine Sodium Benzoicum
cid24661
ls-48602
sodium Benzoate And Caffeine
sodium Caffeine Benzoate
ATC V04CG30
CID 23669229
CAS cid23669229
Formula C16H18ClN3S
Molweight 319.852
Atoms 21
LogP -0.4971
Rotatable Bonds 1
H-Bond Donors 0
H-Bond Acceptors 3
Transporter
AC-No.NameReferences
O15244Solute carrier family 22 member 29687576
P54219Vesicular amine transporter 18860238
P55851UCP2 17635071