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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

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• Acetamiprid

IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide | CAS Registry Number: 135410-20-7
Synonyms: Acetamipride, (E)-acetamiprid, (Z)-acetamiprid, Acetamiprid [ISO], HSDB 7274, NI 25, CHEBI:39163, CHEBI:39164, CHEBI:39165, NCGC00163881-01, NCGC00163881-02, LS-183006, (E)-N-(6-Chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine, C464485, N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide, (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, Ethanimidamide, N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methyl-, (E)-, N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide

Molecular Formula:	C₁₀H₁₁ClN₄	Molecular Weight:	222.674140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WCXDHFDTOYPNIE-UHFFFAOYSA-N

• Acetyl Choline Chloride

IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium chloride | CAS Registry Number: 60-31-1
Synonyms: Miochol, Arterocoline, Acecholin, Acecoline, Ovisot, Chloroacetylcholine, acetylcholine, ACH chloride, Azetylcholinchlorid, ACETYLCHOLINE CHLORIDE, Miochol (TN), Acetylcholinium chloride, O-Acetylcholine chloride, Choline, chloride acetate, MIOCHOL-E, Acetylcholine hydrochloride, Acetilcolina cloruro [DCIT], C7H16NO2.Cl, Choline acetate (ester) chloride, MLS000028640

Molecular Formula:	C₇H₁₆ClNO₂	Molecular Weight:	181.660440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JUGOREOARAHOCO-UHFFFAOYSA-M

• Acetylspiramycin

IUPAC Name: [(1R,5R,7E,9E,11R,12R,14R,15S,16S)-15-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-16-methoxy-5,12-dimethyl-3-oxo-14-(2-oxoethyl)-4-oxa-1-yl] acetate | CAS Registry Number: 24916-51-6
Synonyms: Spiramycin II, acetylspiramycin, Foromacidine B, Foromacidin B, Spiramycin B, Acetylspiramycinum, Spiramycin 2, Acetylspiramycin (TN), Acetylspiramycin (JP15), C45H76N2O15, LMPK01000054, LS-145762, C12891, D02420, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, (9(2R,5S,6R))-, 1403-58-3, 1405-26-1, 18810-02-1

Molecular Formula:	C₄₅H₇₆N₂O₁₅	Molecular Weight:	885.089340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	17

InChIKey: ZPCCSZFPOXBNDL-RSMXASMKSA-N

• Acteoside

IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 61276-17-3
Synonyms: Verbascoside, Kusaginin, MLS002473233, TJC 160, AIDS030638, NSC 603831, AIDS-030638, C29H36O15, NSC603831, CID5281800, LS-71509, SMR001397320, C10501, (B864379), Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-, .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate], 22323-52-0, 27625-92-9, Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-,4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-

Molecular Formula:	C₂₉H₃₆O₁₅	Molecular Weight:	624.587140 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	15

InChIKey: FBSKJMQYURKNSU-ZLSOWSIRSA-N

• Adenine

IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula:	C₅H₅N₅	Molecular Weight:	135.126700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

• Adenosine

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 58-61-7
Synonyms: adenosine, Adenine riboside, Adenocard, Adenoscan, deoxyadenosine, Desoxyadenosine, Nucleocardyl, Sandesin, Boniton, Myocol, beta-Adenosine, beta-D-Adenosine, Adenine nucleoside, Polyadenosine, Adenosin, Adenyldeoxyriboside, Polyriboadenosine, Adenosin [German], adenine-D-ribose, 1odi

Molecular Formula:	C₁₀H₁₃N₅O₄	Molecular Weight:	267.241320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

• Adriamycin

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French], Doxorubicinum [INN-Latin]

Molecular Formula:	C₂₇H₂₉NO₁₁	Molecular Weight:	543.519260 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Alcaftadine

IUPAC Name: 11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde | CAS Registry Number: 147084-10-4
Synonyms: Alcaftadine (USAN/INN), D06552

Molecular Formula:	C₁₉H₂₁N₃O	Molecular Weight:	307.389540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MWTBKTRZPHJQLH-UHFFFAOYSA-N

• Aldicarb sulfone

IUPAC Name: [(E)-(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate | CAS Registry Number: 1646-88-4
Synonyms: Aldoxycarb, Sulfocarb, Standak, Aldoxycarbe, ALDICARB SULFONE, Aldicarb-sulfone, Caswell No. 011AA, Aldoxycarbe [ISO-French], RCRA waste no. P203, Aldoxycarb [ANSI:BSI:ISO], PS1055_SUPELCO, ENT 4.9, 33387_RIEDEL, ENT AI3-29261, 33387_FLUKA, EINECS 216-710-0, MolPort-003-930-241, EPA Pesticide Chemical Code 110801, BRN 1971375, UC-21865

Molecular Formula:	C₇H₁₄N₂O₄S	Molecular Weight:	222.262060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: YRRKLBAKDXSTNC-WEVVVXLNSA-N

• Alitame

IUPAC Name: (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid | CAS Registry Number: 80863-62-3
Synonyms: Alitame anhydrous, UNII-PCE8DAE750, CID64763, D-Alaninamide, L-alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide

Molecular Formula:	C₁₄H₂₅N₃O₄S	Molecular Weight:	331.431000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: IVBOUFAWPCPFTQ-SFYZADRCSA-N

• Allomaleic Acid

IUPAC Name: (E)-but-2-enedioic acid | CAS Registry Number: 110-17-8
Synonyms: fumaric acid, Allomaleic acid, Lichenic acid, Boletic acid, Tumaric acid, trans-Butenedioic acid, fumarate, Allomalenic acid, 2-Butenedioic acid, Butenedioic acid, Fumarsaeure, But-2-enedioic acid, maleic acid, Sodium fumarate, ammonium fumarate, 2-Butenedioic acid (E)-, Kyselina fumarova, Magnesium fumarate, Caswell No. 465E, Butenedioic acid, (E)-

Molecular Formula:	C₄H₄O₄	Molecular Weight:	116.072160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VZCYOOQTPOCHFL-OWOJBTEDSA-N

• Alpha Pinen

IUPAC Name: 4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 80-56-8
Synonyms: ALPHA-PINENE, 2-Pinene, Pinene isomer, Monoterpenes, Acintene A, .alpha.-Pinene, Cyclic dexadiene, Acitene A, PINENE, ALPHA, 1R-.alpha.-Pinene, 1S-.alpha.-Pinene, pin-2-ene, alpha [D] Pinene, alpha [L] Pinene, ( )-alpha-Pinene, (R)-.alpha.-Pinene, alpha-Pinene (natural), pin-2(3)-ene, PINENE, (+-)-alpha-pinene

Molecular Formula:	C₁₀H₁₆	Molecular Weight:	136.234040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: GRWFGVWFFZKLTI-UHFFFAOYSA-N

• Alpha-Linolenic Acid

IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid | CAS Registry Number: 463-40-1
Synonyms: linolenic acid, alpha-Linolenic acid, linolenate, alpha-Linolenate, alpha-Lnn, nchembio.161-comp1, Linolenic acid (8CI), 9,12,15-Octadecatrienoic acid, BSPBio_001376, CCRIS 656, MLS001336029, MLS001336030, L2376_SIGMA, (9,12,15)-linolenic acid, (9Z,12Z,15Z)-Octadecatrienoic acid, 62160_FLUKA, 62170_FLUKA, 9Z,12Z,15Z-Octadecatrienoic acid, CHEBI:27432, CMC_7371

Molecular Formula:	C₁₈H₃₀O₂	Molecular Weight:	278.429600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N

• Amarogentin

IUPAC Name: [(2S,3R,4S,5S,6R)-2-[[(4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate | CAS Registry Number: 21018-84-8
Synonyms: CHEBI:2622, C09767, 2-(4aS-(4aalpha,5beta,6alpha))-3,3',5-Trihydroxy-(1,1'-biphenyl)-2-carboxylate, (1,1'-Biphenyl)-2-carboxylic acid, 3,3',5-trihydroxy-, 2-ester with 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-, (4aR)-5t-ethenyl-6c-[O(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one, 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-O-((3,3',5-trihydroxy(1,1'-biphenyl)-2-yl)carbonyl)-beta-D-glucopyranosyl)oxy)-, (4aS,5R,6S)-

Molecular Formula:	C₂₉H₃₀O₁₃	Molecular Weight:	586.540700 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	13

InChIKey: DBOVHQOUSDWAPQ-WTONXPSSSA-N

• Amikacin�sulfate�salt

IUPAC Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid | CAS Registry Number: 149022-22-0
Synonyms: CTK8F1342

Molecular Formula:	C₂₂H₄₅N₅O₁₇S	Molecular Weight:	683.681000 [g/mol]
H-Bond Donor:	15	H-Bond Acceptor:	21

InChIKey: HIBICIOPDUTNRR-UHFFFAOYSA-N

• Aminophylline

IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione; 1,3-dimethyl-7H-purine-2,6-dione; ethane-1,2-diamine | CAS Registry Number: 317-34-0
Synonyms: aminophylline, Aminophyllin, Somophyllin, Theophyllaminum, Cardiofilina, Cardophyllin, Ethophylline, Metaphylline, Methophylline, Peterphyllin, Phyllocontin, Syntophyllin, Theophyldine, Theophyllamine, Variaphylline, Aminocardol, Ammophyllin, Cardophylin, Diaphilline, Diaphylline

Molecular Formula:	C₁₆H₂₄N₁₀O₄	Molecular Weight:	420.426360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: FQPFAHBPWDRTLU-UHFFFAOYSA-N

• AMINOPURVALANOL A, >97%

IUPAC Name: 2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol | CAS Registry Number: 220792-57-4
Synonyms: Aminopurvalanol, ZINC00582597, CTK8F1119, K00613a, DNC000205

Molecular Formula:	C₁₉H₂₆ClN₇O	Molecular Weight:	403.909040 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: RAMROQQYRRQPDL-UHFFFAOYSA-N

• Annonacin

IUPAC Name: (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one | CAS Registry Number: 111035-65-5
Synonyms: NSC606194, SureCN14666180, AC1L748U, NSC-606194, NCI60_004657, B83674F237, C20213, (2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2H-furan-5-one

Molecular Formula:	C₃₅H₆₄O₇	Molecular Weight:	596.878460 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: XNODZYPOIPVPRF-CGWDHHCXSA-N

• Antioxidant BHT

IUPAC Name: 2,6-ditert-butyl-4-methylphenol | CAS Registry Number: 128-37-0
Synonyms: Butylated hydroxytoluene, Butylhydroxytoluene, Dibunol, Ionol, Impruvol, Topanol, Dalpac, Deenax, Ionole, Stavox, Vianol, Antioxidant KB, Kerabit, Sustane, Tonarol, Agidol, Antioxidant 4K, Sumilizer BHT, Topanol O, Topanol OC

Molecular Formula:	C₁₅H₂₄O	Molecular Weight:	220.350460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-N

• Aprotinin

Synonyms: Trasylol, Trazinin, Zymofren, Iniprol, APROTININ, Riker 52G, Bayer A 128, AIDS043659, AIDS-043659, RP-9921, RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA

Molecular Formula:	C₂₈₄H₄₃₂N₈₄O₇₉S₇	Molecular Weight:	6511.439280 [g/mol]
H-Bond Donor:	93	H-Bond Acceptor:	102

InChIKey: ZPNFWUPYTFPOJU-LPYSRVMUSA-N

• AS 101

IUPAC Name: azanium;2,2,2-trichloro-1,3,2$l^{5}-dioxatellurolane | CAS Registry Number: 106566-58-9
Synonyms: CTK8E8213, RT-011323

Molecular Formula:	C₂H₈Cl₃NO₂Te+	Molecular Weight:	312.041 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JKJLHRGACLEQMQ-UHFFFAOYSA-O

• Ascorbic Acid

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | CAS Registry Number: 50-81-7
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, Ascorbicap, ascorbate, L-ascorbate, Ascoltin, Ascorbutina, Laroscorbine, Testascorbic, Vitascorbol, Allercorb, Ascorbajen, Ascorteal, Cescorbat, Cetemican, Cevitamin, Citriscorb, Lemascorb, Natrascorb

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: TYQCGQRIZGCHNB-JLAZNSOCSA-N

• Asoxime Chloride

IUPAC Name: [(Z)-[1-[(4-carbamoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium dichloride | CAS Registry Number: 34433-31-3
Synonyms: Asoxime chloride, HI-6 Dichloride, HI 6, CCRIS 7699, HI-6, HJ 6, CID5484128, WR 249655, (((4-(Iminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium dichloride, 4'-Carbamoyl-2-formyl-1,1'-(oxydimethylene)di-pyridinium-dichloride-2-oxime, Pyridinium, 1-(((4-(aminocarbonyl)pyridinio)methoxy)methyl)-2-((hydroxyimino)methyl)-, 2Cl, Pyridinium, 4'-carbamoyl-2-formyl-1,1'-(oxydimethylene)di-, dichloride, 2-oxime, 1-(2-Hydroxyiminomethyl-1-pyridino)-3-(4-carbamoyl-1-pyridino)-2-oxapropane dichloride monohydrate

Molecular Formula:	C₁₄H₁₆Cl₂N₄O₃	Molecular Weight:	359.207840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: QELSIJXWEROXOE-WOAHMTPUSA-N

• Aspirin

IUPAC Name: 2-acetyloxybenzoic acid | CAS Registry Number: 50-78-2
Synonyms: aspirin, Acylpyrin, Colfarit, Ecotrin, Acetylsalicylate, Enterosarein, Acenterine, Polopiryna, Micristin, Acetosal, Easprin, ACETYLSALICYLIC ACID, Acetosalic acid, Enterosarine, Acetophen, Acetosalin, Acetylsal, Aspirdrops, Bialpirina, Clariprin

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N

• Aucubin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula:	C₁₅H₂₂O₉	Molecular Weight:	346.329780 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Autocamtide-2-Related Inhibitory Peptide

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,5S)-5-[[(2S)-2-[[(2R,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(3-amino-3-oxopropyl)-8-(diaminomethylideneamino)-4-oxooctanoyl]amino]-4-carboxybutanoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 167114-91-2
Synonyms: [Ala9]-Autocamtide 2, Autocamtide 2-related inhibitory peptide

Molecular Formula:	C₆₅H₁₁₄N₂₀O₂₁	Molecular Weight:	1511.722060 [g/mol]
H-Bond Donor:	22	H-Bond Acceptor:	26

InChIKey: COEHZSYVSXUBHI-CYZNULJVSA-N

• aZ-?(3-?pyridinylmethylene)-?1H-?indole-?3-?acetonitrile

IUPAC Name: (Z)-2-(1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile | CAS Registry Number: 57046-73-8
Synonyms: Paprotrain, SCHEMBL2725524, SCHEMBL2725529, MolPort-035-765-846, AKOS024458361, (Z)-?-(3-Pyridinylmethylene)-1H-indole-3-acetonitrile

Molecular Formula:	C₁₆H₁₁N₃	Molecular Weight:	245.278640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YMYYQRZCCKBFBE-MDWZMJQESA-N

• B-Cyclodextrin

Synonyms: Betadex, Cycloheptaamylose, Kleptose, beta-CYCLODEXTRIN, Cycloheptaglucan, Kleptose B, Rhodocap N, Cycloheptaglucosan, Cyclomaltoheptaose, Ringdex B, Ringdex BL, 1dmb, Cycloheptapentylose, .beta.-Cyclodextrin, Betadex (NF/INN), CYCLO-HEPTA-AMYLOSE, AIDS108406, AIDS-108406, CPD-3781, CID444041

Molecular Formula:	C₄₂H₇₀O₃₅	Molecular Weight:	1134.984200 [g/mol]
H-Bond Donor:	21	H-Bond Acceptor:	35

InChIKey: WHGYBXFWUBPSRW-FOUAGVGXSA-N

• BAY-1797

IUPAC Name: N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide | CAS Registry Number: 2055602-83-8
Synonyms: CHEMBL4521594, N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide, N-(4-(3-chlorophenoxy)-3-sulfamoylphenyl)-2-phenylacetamide, SCHEMBL18301630, EX-A4447, BDBM50506158, HY-130605, CS-0109406

Molecular Formula:	C₂₀H₁₇ClN₂O₄S	Molecular Weight:	416.900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: CSJYMAFXYMYNCK-UHFFFAOYSA-N

• Benzethonium Chloride

IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride | CAS Registry Number: 121-54-0
Synonyms: benzethonium chloride, Hyamine, benzethonium, Quatrachlor, Phemeride, Phemithyn, Solamine, Disilyn, Kylacol, Solamin, Diapp, Phemerol Chloride, Polymine D, Antiseptol, Microklenz, Banagerm, Inactisol, Phemerol, Sanizol, Neostelin green

Molecular Formula:	C₂₇H₄₂ClNO₂	Molecular Weight:	448.080880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

• BENZOIC ACID, 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-3,4-DIFLUORO-

IUPAC Name: 2-(2-chloro-4-iodoanilino)-3,4-difluorobenzoic acid | CAS Registry Number: 303175-44-2
Synonyms: 2-(2-chloro-4-iodophenylamino)-3,4-difluorobenzoic acid, SureCN1488782, CHEMBL481949, CTK1C0471, AG-E-99770, KB-220861, FT-0664738, PD-0184264, 2-[(2-Chloro-4-iodophenyl)amino]-3,4-difluoro-benzoic Acid, Benzoic acid, 2-[(2-chloro-4-iodophenyl)amino]-3,4-difluoro-

Molecular Formula:	C₁₃H₇ClF₂INO₂	Molecular Weight:	409.554456 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: XCNBGWKQXRQKSA-UHFFFAOYSA-N

• Benzonatate

IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate | CAS Registry Number: 104-31-4
Synonyms: Benzononatine, Benzononantin, Tessalon, Ventussin, Exangit, Tessalon-ciba, Ventussin-loz, Tessalon Perles, Benzonatato, Benzonatatum, Benzonatatum [INN-Latin], Benzonatato [INN-Spanish], Tessalon perles (TN), Benzonatate (USP/INN), Prestwick0_000012, Prestwick1_000012, Prestwick2_000012, Prestwick3_000012, UNII-5P4DHS6ENR, KM65

Molecular Formula:	C₃₀H₅₃NO₁₁	Molecular Weight:	603.741920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	12

InChIKey: MAFMQEKGGFWBAB-UHFFFAOYSA-N

• Benzonitrile, 3,3'-[(2-oxo-1,3-cyclohexanediylidene)dimethylidyne]bis- (9CI)

IUPAC Name: 3-[(E)-[(3E)-3-[(3-cyanophenyl)methylidene]-2-oxocyclohexylidene]methyl]benzonitrile | CAS Registry Number: 63476-70-0
Synonyms: CHEMBL4449753, AKOS008372441

Molecular Formula:	C₂₂H₁₆N₂O	Molecular Weight:	324.400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LENALXRGKSPEKI-ZIOPAAQOSA-N

• Bestatin

IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58970-76-6
Synonyms: Ubenimex, Ubestatin, Ubenimexum [Latin], 1txr, Ubenimex [INN:JAN], Bestatin hydrochloride, Tocris-1956, Lopac0_000214, BSPBio_001553, KBioGR_000273, KBioSS_000273, MLS000028649, MLS001424177, 482609_ALDRICH, BCBcMAP01_000178, EINECS 261-529-2, KBio2_000273, KBio2_002841, KBio2_005409, KBio3_000545

Molecular Formula:	C₁₆H₂₄N₂O₄	Molecular Weight:	308.372760 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: VGGGPCQERPFHOB-RDBSUJKOSA-N

• Beta-Amyloid (1-42) Human

Synonyms: Amyloid?|A-Peptide (1-42) (human)

Molecular Formula:	C₂₀₃H₃₁₁N₅₅O₆₀S	Molecular Weight:	4514.038940 [g/mol]
H-Bond Donor:	59	H-Bond Acceptor:	68

InChIKey: XPESWQNHKICWDY-BPJSZXKCSA-N

• Bethanechol Chloride

IUPAC Name: 2-carbamoyloxypropyl(trimethyl)azanium chloride | CAS Registry Number: 590-63-6
Synonyms: Urecholine, Bethanechol chloride, Besacholine, Mechotane, Mechothane, Mecothane, Myocholine, Mictone, Mictrol, Myotonachol, Duvoid, Uro-Carb, bethanechol, Urecholine chloride, Muscaran, Myotonine, Myotonine chloride, Urecholine (TN), Bethaine choline chloride, Carbamylmethylcholine chloride

Molecular Formula:	C₇H₁₇ClN₂O₂	Molecular Weight:	196.675080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: XXRMYXBSBOVVBH-UHFFFAOYSA-N

• Betulin

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | CAS Registry Number: 473-98-3
Synonyms: Betulinol, Trochol, Betuline, Betulol, Messagenin, Triterpenoid, Betulinic alcohol, Betulin, 23, Ambap4788, Prestwick3_000990, BSPBio_001059, NSC 4644, B9757_SIGMA, Lup-20(29)-ene-3beta,28-diol, BPBio1_001165, MEGxp0_001726, ACon1_000091, EINECS 207-475-5, Lup-20(30)-ene-3beta,28-diol, NSC4644

Molecular Formula:	C₃₀H₅₀O₂	Molecular Weight:	442.716800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N

• Betulinic Acid

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 472-15-1
Synonyms: betulinic acid, Mairin, Betulic acid, Prestwick_95, Betulinic Acid, 24, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, CCRIS 6748, BSPBio_000374, BSPBio_001587, MLS000728510, SPBio_002313, NSC677578, 855057_ALDRICH, BPBio1_000412, EINECS 207-448-8, AIDS005859, NSC 113090

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

• BIBX 1382 2HCL; N8-(3-CHLORO-4-FLUOROPHENYL)-N2-(1-METHYL-PIPERIDIN-4-YL) -PYRIMIDO[5,4-D]PYRIMIDINE-2,8-DIAMINE 2HCL

IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine | CAS Registry Number: 196612-93-8
Synonyms: Falnidamol, Falnidamol [INN], Bibx 1382bs, BIBX-1382BS, UNII-0MU316797D, BIBX 1382, BIBX-1382, CHEBI:530493, CID6918508, NCGC00161422-01, BRD-K70914287-300-01-0, 8-(3-Chloro-4-fluoroanilino)-2-((1-methyl-4-piperidyl)amino)pyrimido(5,4-d)pyrimidine, N8-(3-Chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)-pyrimido[5,4-d]pyrimidine-2,8-diamine, Pyrimido(5,4-d)pyrimidine-2,8-diamine, N8-(3-chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)-

Molecular Formula:	C₁₈H₁₉ClFN₇	Molecular Weight:	387.841763 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: FTFRZXFNZVCRSK-UHFFFAOYSA-N

• Biperiden Hydrochloride

IUPAC Name: 1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride | CAS Registry Number: 1235-82-1
Synonyms: Akinophyl, Biperiden hydrochloride, Akineton, Tasmolin, Akineton hydrochloride, Tasmolin (TN), Prestwick_839, Akineton, hydrochloride, Biperidene hydrochloride, Biperidine hydrochloride, C21H29NO.HCl, EINECS 214-976-2, NSC 84989, NSC 170950, Biperiden hydrochloride (JP15/USP), Biperiden hydrochloride [USAN:BAN:JAN], NSC170950, LS-116089, D02246, WLN: L55 A CUTJ FXQR&2- AT6NTJ &GH

Molecular Formula:	C₂₁H₃₀ClNO	Molecular Weight:	347.922000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RDNLAULGBSQZMP-UHFFFAOYSA-N

• Bisabolol

IUPAC Name: (2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol | CAS Registry Number: 515-69-5
Synonyms: alpha-Bisabolol, NSC606842, ZINC00968461

Molecular Formula:	C₁₅H₂₆O	Molecular Weight:	222.366340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RGZSQWQPBWRIAQ-GJZGRUSLSA-N

• BISINDOLYLMALEIMIDE VIII ACETATE SALT

IUPAC Name: acetic acid;3-[1-(3-aminopropyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 138516-31-1
Synonyms: Bisindolylmaleimide VIII, Acetate, Ro-31-7549, 2-[1-3(Aminopropyl)indol-3-yl]-3(1-methyl-1H-indol-3-yl)maleimide, Acetate, bisindolylmaleimide viii, Ro 31-7549 acetate, SureCN8167124, Ro 31-7549 (acetate), BIMI0231, CTK8E7079, MolPort-009-019-513, Bisindolylmaleimide VIII acetate salt, IN1118

Molecular Formula:	C₂₆H₂₆N₄O₄	Molecular Weight:	458.509040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: VEOXVBTXROWDAH-UHFFFAOYSA-N

• BRD9539

IUPAC Name: 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid | CAS Registry Number: 1374601-41-8
Synonyms: BRD-9539, CHEMBL3414617, BRD 9539, D0RO9T, GTPL7375, MolPort-044-561-114, BCP12053, BDBM50075052, ZINC95099973, AKOS032944961, BRD 9539;BRD-9539, CS-5862, HY-15647, BRD9539, >=98% (HPLC), J-007025, 2-benzamido-1-(3-phenylpropyl)-1H-1,3-benzodiazole-5-carboxylic acid

Molecular Formula:	C₂₄H₂₁N₃O₃	Molecular Weight:	399.450 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WPXMEOBILYVKBC-UHFFFAOYSA-N

• Bromopride

IUPAC Name: 4-amino-5-bromo-N-(2-diethylaminoethyl)-2-methoxybenzamide | CAS Registry Number: 4093-35-0
Synonyms: bromopride, Valopride, Artomey, Viaben, Bromoprida, Bromopridum, Movipride, Prestwick_61, Movipride (TN), Bromoprida [Spanish], Bromopride (INN), Bromopridum [INN-Latin], Spectrum_001394, Bromoprida [INN-Spanish], Bromopride [DCF:INN], Bromopride [INN:DCF], Prestwick0_000704, Prestwick1_000704, Prestwick2_000704, Prestwick3_000704

Molecular Formula:	C₁₄H₂₂BrN₃O₂	Molecular Weight:	344.247380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: GIYAQDDTCWHPPL-UHFFFAOYSA-N

• BULLEYACONITINE A, (CRASSIALINE A) 98+% BY HPLC

Synonyms: Bulleyaconitine A, CID159311, LS-91078, Methanone, ((1-alpha,6-alpha,14-alpha,16-beta)-8-(acetyloxy)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl)(4-methoxyphenyl)-

Molecular Formula:	C₃₅H₄₉NO₉	Molecular Weight:	627.764860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	10

InChIKey: YRECILNLFWZVRM-UHFFFAOYSA-N

• Butein

IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 487-52-5
Synonyms: butein, 2',3,4,4'-Tetrahydroxychalcone, 2',4',3,4-Tetrahydroxychalcone, B178_SIGMA, 3,4,2',4'-Tetrahydroxychalcone, EINECS 207-659-5, CHEBI:310267, AIDS057944, AIDS-057944, C15H12O5, HSCI1_000162, LMPK12120111, NSC652892, ZINC12428433, CID5281222, NCGC00163519-01, LS-123867, LS-175098, ST5331397, 2′,4′,3,4-Tetrahydroxychalcone

Molecular Formula:	C₁₅H₁₂O₅	Molecular Weight:	272.252780 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: AYMYWHCQALZEGT-ORCRQEGFSA-N

• Butylated Hydroxy Anisole

IUPAC Name: 2-tert-butyl-4-methoxyphenol | CAS Registry Number: 25013-16-5
Synonyms: 2-tert-Butyl-4-methoxyphenol, 3-tert-Butyl-4-hydroxyanisole, 2-Butyl-4-hydroxyanisole, 3-BHA, 4-Methoxy-2-tert-butylphenol, BUTYLATED HYDROXYANISOLE, CCRIS 3746, Butylated hydroxyanisole I (D), 3-T-BUTYL-4-HYDROXYANISOLE, HSDB 2750, MLS000069623, Butylated hydroxyanisole (BHA), Phenol, 2-tert-butyl-4-methoxy-, 2(3)-tert-Butyl-4-hydroxyanisole, 20021_FLUKA, 96175_FLUKA, EINECS 204-442-7, CID8456, tert-BUTYLHYDROXYANISOLE TECH, BRN 1867499

Molecular Formula:	C₁₁H₁₆O₂	Molecular Weight:	180.243540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MRBKEAMVRSLQPH-UHFFFAOYSA-N

• C-11, Undecylenic Alcohol

IUPAC Name: undec-10-en-1-ol | CAS Registry Number: 112-43-6
Synonyms: Undecylenic alcohol, 10-Undecenol, Undecylenyl alcohol, Undecen-1-ol, 10-UNDECEN-1-OL, 1-Undecen-11-ol, 10-Undecylen-1-ol, 11-Hydroxy-1-undecene, omega-Undecenyl alcohol, .omega.-Undecenyl alcohol, Alcohol C-11, C-11 Alcohol, U2008_ALDRICH, WLN: Q10U1, EINECS 203-971-0, CID8185, NSC 66157, NSC66157, BRN 1753225, SBB009050

Molecular Formula:	C₁₁H₂₂O	Molecular Weight:	170.291780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GIEMHYCMBGELGY-UHFFFAOYSA-N

• CAL 101

IUPAC Name: 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one | CAS Registry Number: 1146702-54-6
Synonyms: Idelalisib, CAL-101, 870281-82-6, Zydelig, GS-1101, CAL101, (S)-2-(1-((9H-Purin-6-yl)amino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, UNII-YG57I8T5M0, YG57I8T5M0, CHEMBL2216870, CHEBI:82701, (S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinazolin-4(3H)-one, 5-Fluoro-3-phenyl-2-((S)-1-(9H-purin-6-ylamino)-propyl)-3H-quinazolin-4-one, CAL-101 (Idelalisib, GS-1101), AK145603, Idelalisib; CAL-101, 5-FLUORO-3-PHENYL-2-[(1S)-1-(9H-PURIN-6-YLAMINO)PROPYL]-4(3H)-QUINAZOLINONE, CAL-101, CAL101, 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4-one, 5-fluoro-3-phenyl-2-((1s)-1-(9h-purin-6-ylamino)propyl)-4(3h)-quinazolinone

Molecular Formula:	C₂₂H₁₈FN₇O	Molecular Weight:	415.432 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: IFSDAJWBUCMOAH-HNNXBMFYSA-N

• Capric Acid

IUPAC Name: decanoic acid | CAS Registry Number: 334-48-5
Synonyms: Decanoic acid, n-Capric acid, CAPRIC ACID, n-Decanoic acid, Caprinic acid, Decylic acid, Decoic acid, Caprynic acid, decanoate, n-Decylic acid, n-Decoic acid, caprate, caprinate, Dekansaeure, Kaprinsaeure, n-decanoate, Sodium caprate, Versatic 10, C10 fatty acid, Versatic 10 acid

Molecular Formula:	C₁₀H₂₀O₂	Molecular Weight:	172.264600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N