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All Chemistry Inc.

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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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• Polyhexamethyleneguanidine hydrochloride
IUPAC Name: 1,2-dibutylguanidine | CAS Registry Number: 57028-96-3
Synonyms: 1,2-dibutylguanidine, Guanidine, N,N'-dibutyl-, CHEMBL80081, AGN-PC-002I26, CTK1B7774, CHEBI:228873, RL04152, 34331-58-3

Molecular Formula: C9H21N3Molecular Weight: 171.283140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: HXEJAEDEMWCUTP-UHFFFAOYSA-N

• Pomalidomide
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | CAS Registry Number: 19171-19-8
Synonyms: Actimid, 4-Aminothalidomide, IMiD1, IMiD 3, UNII-D2UX06XLB5, IMID-4047, CDC-394, CHEBI:163100, CC-4047, CID134780, CC 4047, 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide, Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-, 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione, 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 4-Amino-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-, 443912-23-0, 443919-33-3

Molecular Formula: C13H11N3O4Molecular Weight: 273.244140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

• Potassium Octoate
IUPAC Name: potassium octanoic acid | CAS Registry Number: 764-71-6
Synonyms: Potassium octoate, Potassium caprylate, Potassium octanoate, Caprylic acid, potassium salt, EINECS 212-130-7, C8H16O2, OCTANOIC ACID, POTASSIUM SALT, LS-97999, 124-07-2, 146837-11-8

Molecular Formula: C8H16KO2+Molecular Weight: 183.309740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RLEFZEWKMQQZOA-UHFFFAOYSA-N

• Prilocaine
IUPAC Name: N-(2-methylphenyl)-2-(propylamino)propanamide | CAS Registry Number: 721-50-6
Synonyms: prilocaine, Propitocaine, Citanest, Oraqix, Emla Cream, Emla, Mixture Name, Prilocaine [USAN], Astra 1515, Prilocainum [INN-Latin], Prilocaine hydrochloride, Ambap3481, Spectrum_001649, Prilocaina [INN-Spanish], Prilocaine (USP/INN), Astra 1512, Prestwick0_000199, Prestwick1_000199, Prestwick2_000199, Prestwick3_000199

Molecular Formula: C13H20N2OMolecular Weight: 220.310700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MVFGUOIZUNYYSO-UHFFFAOYSA-N

• Pyridine, 2-(chloromethyl)-4-methoxy-3-methyl-, hydrochloride
IUPAC Name: 2-(chloromethyl)-4-methoxy-3-methylpyridine;hydrochloride | CAS Registry Number: 86604-74-2
Synonyms: 2-(chloromethyl)-4-methoxy-3-methylpyridine hydrochloride, 124473-12-7, 2-Chloromethyl-4-methoxy-3-methylpyridine hydrochloride, PubChem22658, SureCN2111356, AGN-PC-00AN69, CTK3C6954, ACT03647, ANW-53146, AKOS015846369, AC-5165, BD73659, AK-55928, EN001595, KB-170012, KB-223902, FT-0652702

Molecular Formula: C8H11Cl2NOMolecular Weight: 208.085040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WHAGSNVVBXOIGQ-UHFFFAOYSA-N

• Quercetagenin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one | CAS Registry Number: 90-18-6
Synonyms: Quercetagetin, 6-Hydroxyquercetin, AIDS001410, 3,3',4',5,6,7-Hexahydroxyflavone, 3,3'4,5,6,7-hexOH-Flavone, AIDS-001410, EINECS 201-973-6, NSC115916, CID5281680, NSC 115916, Flavone, 3,3',4',5,6,7-hexahydroxy-, ST5331681, C10122, 3,3′,4′,5,6,7-Hexahydroxyflavone, Flavone, 3,3',4',5,6,7-hexahydroxy- (8CI), 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-, 3,5,6,7-Tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- (9CI), MYU

Molecular Formula: C15H10O8Molecular Weight: 318.235100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: ZVOLCUVKHLEPEV-UHFFFAOYSA-N

• Rapamycin
Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula: C51H79NO13Molecular Weight: 914.171860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• RApastinel Trifluoroacetate
IUPAC Name: 1-[1-[(2~{S})-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]-~{N}-[(2~{S})-1-amino-3-hydroxy-1-oxobutan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid | CAS Registry Number: 1435786-04-1
Synonyms: BCP24901

Molecular Formula: C20H32F3N5O8Molecular Weight: 527.498 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: BCWVNVCGYWOAAK-JHJPLXAPSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• RGB-286638
IUPAC Name: 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea | CAS Registry Number: 784210-88-4
Synonyms: UNII-1GAJ98SC2X, RGB 286638, Tube008, 1GAJ98SC2X, RGB-286638 free base, GTPL7744, SCHEMBL10087436, RGB286638, KB-145987, 1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea, N-[3-(4-{[4-(2-methoxyethyl)piperazinyl]methyl}phenyl)-4- oxoindeno[2,3-d]pyrazol-5-yl](morpholin-4-ylamino)carboxamide dihydrochloride, n-[3-(4-{[4-(2-methoxyethyl)piperazinyl]methyl}phenyl)-4-oxoindeno[2,3-d]pyrazol-5-yl](morpholin-4-ylamino)carboxamide dihydrochloride, Urea, N-(1,4-dihydro-3-(4-((4-(2-methoxyethyl)-1-piperazinyl)methyl)phenyl)-4-oxoindeno(1,2-c)pyrazol-5-yl)-n'-4-morpholinyl-

Molecular Formula: C29H35N7O4Molecular Weight: 545.632700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: XLSYZSRXVVCHLS-UHFFFAOYSA-N

• Rimonabant(acomplia,SR141716)
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide | CAS Registry Number: 168273-06-1
Synonyms: Rimonabant, Acomplia, Rimoslim, Zimulti, Acomplia (TN), nchembio.129-comp21, Rimonabant (USAN/INN), Rimonabant [USAN:INN], UNII-RML78EN3XE, Bio-0091, CHEBI:116088, AIDS342676, AIDS-342676, SR 141716, CID104850, SR141716A, ZINC01540228, [3H]SR141716A, SR-141716A, A 281

Molecular Formula: C22H21Cl3N4OMolecular Weight: 463.787340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

• Rivastigmine
IUPAC Name: [3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate | CAS Registry Number: 123441-03-2
Synonyms: rivastigmine, Exelon, ENA 713 free base, Rivastigmine tartrate, Exelon (TN), Rivastigmine [USAN:INN], Rivastigmine (USAN/INN), Rivastigmine Hydrogen Tartrate, ENA 713, ENA-713, C14H22N2O2, CID77991, SDZ 212-713, DB00989, NCGC00167531-01, LS-172571, C11766, D03822, 3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate, (S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate

Molecular Formula: C14H22N2O2Molecular Weight: 250.336680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSVMFMHYUFZWBK-NSHDSACASA-N

• RO 5028442
IUPAC Name: [6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone | CAS Registry Number: 920022-47-5
Synonyms: LZ0EU1YHCK, UNII-LZ0EU1YHCK, Ro5028442, CHEMBL3416885, Ro-5028442, SCHEMBL4361592, SCHEMBL4361597, BDBM50077217, CS-7944, DB12721, RG 7314, HY-12981, (6-Chloro-1-(2-(dimethylamino)ethyl)indol-3-yl)-spiro(1H-isobenzofuran-3,4'-piperidine)-1'-yl-methanone, Methanone, (6-chloro-1-(2-(dimethylamino)ethyl)-1H-indol-3-yl)spiro(isobenzofuran-1(3H),4'-piperidin)-1'-yl-

Molecular Formula: C25H28ClN3O2Molecular Weight: 437.968 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QZXVLRCMAHJVIP-UHFFFAOYSA-N

• Rosmarinic acid
IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | CAS Registry Number: 20283-92-5
Synonyms: rosmarinic acid, Rosmarinate, Rosmarimic acid, Rosemary acid, (R)-rosmarinic acid, Ambap7578, MLS000697677, 536954_ALDRICH, MEGxp0_000163, ACon1_001068, CHEBI:50371, AIDS026336, AIDS-026336, C18H16O8, 537-15-5 (ROSMARINATE), CID5281792, NCGC00169708-01, SMR000445579, 20283-92-5 (FREE ACID), LS-175479

Molecular Formula: C18H16O8Molecular Weight: 360.314840 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

• RSVA 405
IUPAC Name: ~{N}-[(~{Z})-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide | CAS Registry Number: 140405-36-3
Synonyms: (Z)-N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide, SCHEMBL5809052, ZINC61619, MolPort-003-054-156, AKOS024599572, F0777-1353, (E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide, N'-[2-Hydroxy-4-(diethylamino)benzylidene]pyridine-4-carbohydrazide

Molecular Formula: C17H20N4O2Molecular Weight: 312.373 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GWQPCBPAOAFXSJ-UNOMPAQXSA-N

• rutinoside
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 403861-33-6
Synonyms: CHEMBL2037047, 6-Methoxykaempferol 3-O-rutinoside, 4',5,7-Trihydroxy-6-methoxy-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]flavone

Molecular Formula: C28H32O16Molecular Weight: 624.544080 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: FPVLVSUOCXHCMR-FPHOCJSOSA-N

• Salicin
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol | CAS Registry Number: 138-52-3
Synonyms: salicin, Salicoside, Salicine, D(-)-Salicin, D-( )-Salicin, Salicin (6CI,8CI), Salicyl alcohol glucoside, Spectrum_001230, Spectrum2_000756, Spectrum3_000948, Spectrum4_001058, Spectrum5_000971, Saligenin beta-D-glucopyranoside, Saligenin-beta-D-glucopyranoside, KBioGR_001356, KBioSS_001710, MLS000563050, MLS001306490, DivK1c_000030, S0625_SIGMA

Molecular Formula: C13H18O7Molecular Weight: 286.277820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: NGFMICBWJRZIBI-UJPOAAIJSA-N

• Salvianolic acid B
IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid | CAS Registry Number: 115939-25-8
Synonyms: Lithospermic acid B, CID6441188, C076944, (2R-(2alpha,3beta(R*),4(E(R*))))-3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate, 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2R-(2alpha,3beta(R*),4(E(R*))))-

Molecular Formula: C36H30O16Molecular Weight: 718.613800 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: SNKFFCBZYFGCQN-RDHSGEKBSA-N

• SC-1 (CAS: 1313019-65-6)
• SENECIONINE N-OXIDE
Synonyms: Senecionine oxide, Senecionine N-oxide, NSC 106677, CID6437374, 12-Hydroxysenecionan-11,16-dione 4-oxide, LS-144943, Senecionan-11,16-dione, 12-hydroxy-, 4-oxide, (1,6)Dioxacyclododecino(2,3,4-gh)pyrrolizine-3,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl-, 12-oxide, (3Z,5R,6R,14aR,14bR)-

Molecular Formula: C18H25NO6Molecular Weight: 351.394200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: PLGBHVNNYDZWGZ-NRTYDQPPSA-N

• Senkyunolide I
IUPAC Name: (3Z,6S,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one | CAS Registry Number: 94596-28-8
Synonyms: senkyunolide I, Ligustilidiol, (Z)-Ligustilidiol, Ligustilidiol, (Z)-, Trans-6,7-dihydroxyligustilide, SCHEMBL11967648, ZINC31156168, Y0188, UNII-12PJ07292V component DQNGMIQSXNGHOA-JXQVETIVSA-N, 1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel-, 1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6alpha,7beta)-

Molecular Formula: C12H16O4Molecular Weight: 224.253040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DQNGMIQSXNGHOA-JXQVETIVSA-N

• Sesamin
IUPAC Name: 5-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-1,3-benzodioxole | CAS Registry Number: 607-80-7
Synonyms: sesamin, Asarinin, Fagarol, Sezamin, Episesamin, d-Sesamin, (+)-Sesamin, D-(+)-Sesamin, (+)-Segamin, Ambap957, PSEUDO CUBEBIN, MLS000728578, S9314_SIGMA, ACon0_000323, ACon1_002421, NSC 36403, AIDS002473, AIDS-002473, C20H18O6, CID72307

Molecular Formula: C20H18O6Molecular Weight: 354.353320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PEYUIKBAABKQKQ-AFHBHXEDSA-N

• SINAPOYLCHOLINE
IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium | CAS Registry Number: 18696-26-9
Synonyms: Sinapine, Sinapoylcholine, O-sinapoylcholine, Sinapine bisulphate, MEGxp0_001763, ACon1_000255, CHEBI:16353, ZINC01532786, CID5280385, 4-Hydroxy-3,5-dimethoxycinnamate choline, C00933, BRD-K21295184-064-01-0, 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium, 2-((3-(4-Hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethylethanaminium, 2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium, Ethanaminium, 2-((3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl)oxy)-N,N,N-trimethyl-

Molecular Formula: C16H24NO5+Molecular Weight: 310.365460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HUJXHFRXWWGYQH-UHFFFAOYSA-O

• Sitagliptin Base
IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one | CAS Registry Number: 486460-32-6
Synonyms: Sitagliptin, Sitagliptan, Sitagliptin phosphate, Januvia (merck & Co.), BSPBio_002262, CHEBI:40237, 1x70, MK-0431, CID4369359, DB01261, LS-187389, (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE, (3R)-3-amino-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one, (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Molecular Formula: C16H15F6N5OMolecular Weight: 407.313619 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: MFFMDFFZMYYVKS-SECBINFHSA-N

• SITOINDOSIDE I
IUPAC Name: [6-[[(8S,9R,10R,13R,14R,17S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate | CAS Registry Number: 18749-71-8

Molecular Formula: C51H90O7Molecular Weight: 815.274 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: JCLYMCVRBRHEHI-OBZSBAKKSA-N

• Smad3 Inhibitor, SIS3
IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one | CAS Registry Number: 1009104-85-1
Synonyms: SureCN6479530, CTK8E8837, IN1090

Molecular Formula: C28H27N3O3Molecular Weight: 453.532280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IJYPHMXWKKKHGT-UHFFFAOYSA-N

• Sodium Copper Chlorophyllin
IUPAC Name: copper (8Z,17S,18S)-12-ethenyl-7-ethyl-3,13,17-trimethyl-8-(oxidomethylidene)-20-(2-oxido-2-oxoethyl)-18-(3-oxido-3-oxopropyl)-17,18-dihydroporphyrin-21-ide-2-carboxylate | CAS Registry Number: 28302-36-5
Synonyms: Sodium copper chlorophyllin, EINECS 248-950-7, LS-7701, Cuprate(3-), ((2S,3S)-18-carboxy-20-(carboxymethyl)-8-ethenyl-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-21H,23H-porphine-2-propanoato(5-)-kappaN21,kappaN22,kappaN23,kappaN24)-, trisodium, (SP-4-2)-, Trisodium (2S-trans)-(18-carboxy-20-(carboxymethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionato(5-)-N21,N22,N23,N24)cuprate(3-)

Molecular Formula: C34H29CuN4O7-3Molecular Weight: 669.162660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 11

InChIKey: KPXZRAAKOHDVOL-XXRBRTKDSA-I

• Sodium Formate
IUPAC Name: sodium formate | CAS Registry Number: 141-53-7
Synonyms: Salachlor, SODIUM FORMATE, Formic acid, sodium salt, qCaPSCPRVd@, Sodium formate, refined, Mravencan sodny [Czech], CARMINATE, SODIUM, FORMIC ACID, NA SALT, CCRIS 1037, HSDB 744, EINECS 205-488-0, NSC 77457, LS-69701, 64-18-6, 64536-02-3, 84050-15-7, 84050-16-8, 84050-17-9

Molecular Formula: CHNaO2Molecular Weight: 68.007210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HLBBKKJFGFRGMU-UHFFFAOYSA-M

• Sodium glycocholate hydrate
IUPAC Name: sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate;hydrate | CAS Registry Number: 338950-81-5
Synonyms: N-Cholylglycine sodium salt, Glycocholic acid sodium salt hydrate, MLS001332642, G7132_SIGMA, HMS2236C08, SMR000875223, G-5300, N-(3|A,7|A,12|A-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt, N-(3alpha,7alpha,12alpha-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt, 3|A,7|A,12|A-Trihydroxy-5|A-cholan-24-oic acid N-(carboxymethyl)amide sodium salt, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(carboxymethyl)amide sodium salt

Molecular Formula: C26H44NNaO7Molecular Weight: 505.619829 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: YWROUPFMHKARON-HJRQWJHVSA-M

• Soyasaponin Bb
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid | CAS Registry Number: 51330-27-9
Synonyms: Soyasaponin I, SCM 3B, CCRIS 6617, Soybean saponin fraction B1, CHEBI:605787, AIDS000571, AIDS-000571, C48H78O18, CID122097, LS-175250, C08983, Oleanane, b-D-glucopyranosiduronic acid deriv., beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-, b-D-Glucopyranosiduronic acid, (3b,4b,22b)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-.alpha.-L-mannopyranosyl-(1.2)-O-.beta.-D-galactopyranosyl-(1.2)-

Molecular Formula: C48H78O18Molecular Weight: 943.122120 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 18

InChIKey: PTDAHAWQAGSZDD-IOVCITQVSA-N

• SP-8356
IUPAC Name: (1S,5R)-4-[(E)-2-(3,4-dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one | CAS Registry Number: 1454885-45-0
Synonyms: CHEMBL2426707, HY-130234, CS-0105869, (1S,5R)-4-[(E)-2-(3,4-Dihydroxy-5-methoxyphenyl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one

Molecular Formula: C18H20O4Molecular Weight: 300.300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ITCSXIQQWJYZHT-QITAHTHBSA-N

• SR 95531 HYDROBROMIDE; 6-IMINO-3-(4-METHOXYPHENYL)-1(6H)-PYRIDAZINEBUTANOIC ACID HYDROBROMIDE
IUPAC Name: 4-[6-imino-3-(4-methoxyphenyl)pyridazin-1-yl]butanoic acid hydrobromide | CAS Registry Number: 104104-50-9
Synonyms: Gabazine, SR 95531, CID107895, SR-95531, LS-184260, 6-Amino-5-methyl-3-(4-methoxyphenyl)-1-pyridaziniumbutyric acid Br, 6-Imino-3-(4-methoxyphenyl)-1(6H)-pyridazinebutanoic acid monohydrobromide, 1(6H)-Pyridazinebutanoic acid, 6-imino-3-(4-methoxyphenyl)-, monohydrobromide

Molecular Formula: C15H18BrN3O3Molecular Weight: 368.225720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GFZHNFOGCMEYTA-UHFFFAOYSA-N

• St. John's Wort Powdered Extract
Synonyms: hypericin, Hypericum red, Cyclosan, hipericina, hypericine, Cyclo-Werol, Hyperizin, Cyclo werrol, Hypericum Extract, VIMRxyn, Ambap348, BiomolKI_000032, Hypericin & Visible light, BiomolKI2_000040, mono-(123I)iodohypericin, NSC407313, CHEBI:5835, 56690_FLUKA, EINECS 208-941-0, NSC622946

Molecular Formula: C30H16O8Molecular Weight: 504.443240 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: BTXNYTINYBABQR-UHFFFAOYSA-N

• Stafia-1 (CAS: 2582757-90-0)
• Sucrose
IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 57-50-1
Synonyms: sucrose, saccharose, Cane sugar, sugar, Table sugar, White sugar, D-Sucrose, Saccharum, Rohrzucker, Amerfand, Sucrose, dust, Sucrose, pure, D(+)-Saccharose, sacarosa, D(+)-Sucrose, D-(+)-Saccharose, beta-D-Fructofuranosyl alpha-D-glucopyranoside, Amerfond, Microse, Beet sugar

Molecular Formula: C12H22O11Molecular Weight: 342.300 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N

• Tacrolimus
Synonyms: tacrolimus, Prograf, Advagraf, Fujimycin, Graceptor, Modigraf, Protopic, Protopy, LCP-Tacro, Ambap5429, Fk-506, BSPBio_001279, MLS000759471, NChemBio.2007.16-comp1, FK506, FK 506, LMPK01000002, FR-900506, IDI1_001040, NCGC00163470-01

Molecular Formula: C44H69NO12Molecular Weight: 804.018160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

• TAK-875
IUPAC Name: 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid | CAS Registry Number: 1000413-72-8
Synonyms: Fasiglifam, TAK875, CHEMBL1829174, TAK 875, Fasiglifam (INN), Fasiglifam [INN], 3-Benzofuranacetic acid, 6-[[2',6'-diMethyl-4'-[3-(Methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]Methoxy]-2,3-dihydro-, (3S)-, ((3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl)acetic acid, [(3S)-6-({3-[4-(3-methanesulfonylpropoxy)-2,6-dimethylphenyl]phenyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid, PubChem24441, UNII-GLP1W4JXAH, cc-64, SureCN204652, QCR-231, CS-0282, PB24359, RL00005, RL00413, NCGC00346669-01, HY-10480

Molecular Formula: C29H32O7SMolecular Weight: 524.625180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BZCALJIHZVNMGJ-HSZRJFAPSA-N

• Tariquidar
IUPAC Name: N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide | CAS Registry Number: 206873-63-4
Synonyms: tariquidarth, Tariquidar (USAN/INN), UNII-J58862DTVD, CHEBI:359664, XR9576, XR 9576, CID148201, D06008, C402343, N-(2-((4-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)carbamoyl)-4,5-dimethoxyphenyl)quinoline-3-carboxamide, 1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]phenyl}-4,5-dimethoxy-2-(3-quinolylcarboxamido)benzamide, 3-Quinolinecarboxamide, N-(2-(((4-(2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl)phenyl)amino)carbonyl)-4,5-dimethoxyphenyl)-

Molecular Formula: C38H38N4O6Molecular Weight: 646.731520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: LGGHDPFKSSRQNS-UHFFFAOYSA-N

• Temephos
IUPAC Name: [4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 3383-96-8
Synonyms: temephos, Temefos, Difos, Etidronsaeure, Tetrafenphos, Abathion, Biothion, Difenphos, Abaphos, Bithion, Nimitex, Nimitox, Procida, Swebate, Diphos, Nephis, Swebat, Lypor, ABATE, Nephis 1G

Molecular Formula: C16H20O6P2S3Molecular Weight: 466.468922 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WWJZWCUNLNYYAU-UHFFFAOYSA-N

• Tempo
IUPAC Name: 1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidine | CAS Registry Number: 2564-83-2
Synonyms: Tanane, Tanan, TEMPO, Tetramethylpiperidinooxy, Tetramethylpiperidine nitroxide, C9H19NO, 2,2,6,6-Tetramethylpiperidoxyl, 2,2,6,6-Tetramethylpiperidinooxy, 214000_ALDRICH, 426369_ALDRICH, 2,2,6,6-Tetramethylpiperidinooxyl, 2,2,6,6-Tetramethylpiperidinyloxy, 87903_FLUKA, CHEBI:32849, EINECS 219-888-8, 2,2,6,6-Tetramethyl-1-piperidinyloxy, 2,2,6,6-Tetramethylpiperidine-1-oxyl, BRN 1422418, 1-Piperidinyloxy, 2,2,6,6-tetramethyl-, PIPERIDINOOXY, 2,2,6,6-TETRAMETHYL-

Molecular Formula: C9H18NOMolecular Weight: 156.245320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QYTDEUPAUMOIOP-UHFFFAOYSA-N

• Teneligliptin HBr
IUPAC Name: [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;pentahydrobromide | CAS Registry Number: 906093-29-6
Synonyms: Teneligliptin hydrobromide, UNII-556RZT8JPF, 556RZT8JPF, Teneligliptin hydrobromide anhydrous, HY-14806A, CS-1098, W-5994, Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-, hydrobromide (2:5)

Molecular Formula: C44H65Br5N12O2S2Molecular Weight: 1257.716100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: LUXIOMHUGCXFIU-MAYGPZJUSA-N

• Tert-Butyldimethylsilyl Chloride
IUPAC Name: tert-butyl-chloro-dimethylsilane | CAS Registry Number: 18162-48-6
Synonyms: TBDMS chloride, TBDMSCl solution, t-Butyldimethylchlorosilane, TBDMSCl, tert-Butyldimethylchlorosilane, tert-Butylchlorodimethylsilane, Tert-Butyldimethylsilyl chloride, Chloro-tert-butyldimethylsilane, UPCMLD00WV-84, Silane, chloro-tert-butyldimethyl-, tert-Butyl(chloro)dimethylsilane, 190500_ALDRICH, 372951_ALDRICH, 384429_ALDRICH, 473464_ALDRICH, Silane, chloro(1,1-dimethylethyl)dimethyl-, 19905_FLUKA, 19906_FLUKA, EINECS 242-042-4, SILANE, t-BUTYLCHLORODIMETHYL-

Molecular Formula: C6H15ClSiMolecular Weight: 150.721800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCNZYOJHNLTNEZ-UHFFFAOYSA-N

• Tetrafluoroterephthalic acid
IUPAC Name: 2,3,5,6-tetrafluoroterephthalic acid | CAS Registry Number: 652-36-8
Synonyms: 104418_ALDRICH, CID69549, NSC96897, 2,3,5,6-Tetrafluoro terephthalic acid, EINECS 211-489-7, 2,3,5,6-Tetrafluoroterephthalic acid, TL8004632, 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid, 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-, InChI=1/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16

Molecular Formula: C8H2F4O4Molecular Weight: 238.092693 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: WFNRNCNCXRGUKN-UHFFFAOYSA-N

• Tetramisole Hydrochloride
IUPAC Name: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole hydrochloride | CAS Registry Number: 5086-74-8
Synonyms: Anthelvet, Ascarotrat, Concurat, Nilverom, Ripercol, Citarin, Nilverm, Tetramisole hydrochloride, Orovermol, Pig Wormer, Spartakon, Ripereol, Solaskil hydrochloride, Citarin (VAN), Prestwick_854, TETRAMISOLE, Bayer 9051, Tetramisol hydrochloride, (.+-.)-Anthelvet, McN JR 8299

Molecular Formula: C11H13ClN2SMolecular Weight: 240.752320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LAZPBGZRMVRFKY-UHFFFAOYSA-N

• Tetraphenylmethane
IUPAC Name: tri(phenyl)methylbenzene | CAS Registry Number: 630-76-2
Synonyms: Tetraphenyl methane, METHANE, TETRAPHENYL-, EINECS 211-144-0, NSC 43332, NSC43332, BRN 1913557, Benzene, 1,1',1'',1'''-methanetetrayltetrakis-, LS-90365, ST5409956, 1,1',1'',1'''-methanetetrayltetrabenzene, Benzene, 1,1',1'',1'''-methanethetrayltetrakis-, 4-05-00-02741 (Beilstein Handbook Reference), Benzene, 1,1',1'',1'''-methanetetrayltetrakis- (9CI), InChI=1/C25H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20

Molecular Formula: C25H20Molecular Weight: 320.426300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PEQHIRFAKIASBK-UHFFFAOYSA-N

• Tetrathiafulvalene
IUPAC Name: 2-(1,3-dithiol-2-ylidene)-1,3-dithiole | CAS Registry Number: 31366-25-3
Synonyms: 183180_ALDRICH, Delta2,2'-Bi-1,3-dithiole, delta-2:2'-Bis(1,3-dithiazole), EINECS 250-593-7, NSC222862, ZINC00032315, 1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-, NSC 222862, ST044478, TTF, 143413-93-8, 56243-32-4, 56481-75-5, 87891-32-5

Molecular Formula: C6H4S4Molecular Weight: 204.355960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FHCPAXDKURNIOZ-UHFFFAOYSA-N

• Thapsigargin
IUPAC Name: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate | CAS Registry Number: 67526-95-8
Synonyms: thapsigargin, -7-yl ester, THAPSINGARGIN, nchembio.368-comp12, n-7-yl ester (9CI), Lopac0_001262, BSPBio_001501, T9033_SIGMA, CHEBI:251991, MolPort-003-959-790, HMS1989L03, C28H38O12.C7H16, CID446378, LMPR0103410001, Azuleno[4,5-b]furan, octanoic acid deriv., IDI1_033971, NCGC00162381-05, NCGC00162381-06, LS-176600, EU-0101262

Molecular Formula: C34H50O12Molecular Weight: 650.753600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: IXFPJGBNCFXKPI-FSIHEZPISA-N

• Tirofiban
IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid | CAS Registry Number: 144494-65-5
Synonyms: tirofiban, Aggrastat, Tirofiban [BAN:INN], Tirofiban [INN:BAN], HSDB 7323, CHEBI:9605, C22H36N2O5S, CID60947, MK 383, MK-383, DB00775, LS-173214, N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine, C07965, L 700462, L-700462, L-700,462, L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine, (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Molecular Formula: C22H36N2O5SMolecular Weight: 440.596640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: COKMIXFXJJXBQG-NRFANRHFSA-N

• TJ191
IUPAC Name: methyl 2-amino-5-heptylthiophene-3-carboxylate | CAS Registry Number: 1522415-97-9
Synonyms: methyl 2-amino-5-heptylthiophene-3-carboxylate, starbld0001638, CHEMBL4095188, EX-A4611, HY-120075, CS-0069439

Molecular Formula: C13H21NO2SMolecular Weight: 255.380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HUFNXSPJUAHQHP-UHFFFAOYSA-N

• Tri-tert-butylphosphonium tetrafluoroborate
IUPAC Name: tritert-butylphosphane;tetrafluoroborate | CAS Registry Number: 131274-22-1
Synonyms: Tri-tert-butylphosphine tetrafluoroborate, AG-D-63494, ACMC-209bla, KSC174C2R, CTK0H4128, ANW-19292, SBB071343, AKOS015911874, tritert-butylphosphane tetrafluoroborate, tritert-butylphosphine tetrafluoroborate, KB-81348, A806233, I14-3729

Molecular Formula: C12H27BF4P-Molecular Weight: 289.121155 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YTJUCJAUJCXFTN-UHFFFAOYSA-N


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