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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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• Phytic acid
IUPAC Name: (2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate | CAS Registry Number: 83-86-3
Synonyms: Alkalovert, Phytate, Fytic acid, Alkovert, Inositol hexaphosphate, myo-Inositol hexaphosphate, 1zsh, Phytic acid solution, myo-Inosistol hexakisphosphate, 1bq3, inositol hexakisphosphate, Saure des phytins [German], myo-inositol hexakisphosphate, CCRIS 4513, Acide fytique [INN-French], Acido fitico [INN-Spanish], Acidum fyticum [INN-Latin], meso-Inositol hexaphosphate, Inositol hexakis(phosphate), Inosithexaphosphorsaure [German]

Molecular Formula: C6H18O24P6Molecular Weight: 660.035286 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 24

InChIKey: IMQLKJBTEOYOSI-UHFFFAOYSA-N

• Picrocrocin
IUPAC Name: (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde | CAS Registry Number: 138-55-6
Synonyms: CHEBI:53168, CPD-8668, CID130796, C17055, (R)-4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde, (1R)-4-formyl-3,5,5-trimethylcyclohex-3-en-1-yl beta-D-glucopyranoside, 1-Cyclohexene-1-carboxaldehyde, 4-(beta-D-glucopyranosyloxy)-2,6,6-trimethyl-, (R)-, 4-(beta-D-Glucopyranosyloxy)-2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde

Molecular Formula: C16H26O7Molecular Weight: 330.373440 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: WMHJCSAICLADIN-WYWSWGBSSA-N

• Pilocarpine Hydrochloride
IUPAC Name: (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one hydrochloride | CAS Registry Number: 54-71-7
Synonyms: Almocarpine, Pilocarpal, Pilomiotin, Pilovisc, Pilocar, Pilocel, Epicar, Pilocarpine hydrochloride, Adsorbocarpine, Sno pilo, Salagen, Mistura P, Isopto-carpine, Pilocar SMP, Ami-pilo, Pilocarpine muriate, Amistura P, Isoptocarpine, Sanpilo, Pilopine HS Gel

Molecular Formula: C11H17ClN2O2Molecular Weight: 244.717880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RNAICSBVACLLGM-GNAZCLTHSA-N

• Pingpeimine A
Synonyms: CID158259, Cevane-3,6,14,16,20-pentol, (3beta,5alpha,6alpha,16beta)-

Molecular Formula: C27H45NO5Molecular Weight: 463.649900 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: IDFMBIWPULRZOJ-LPMWXLNZSA-N

• Pirenzepine dihydrochloride
IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloride | CAS Registry Number: 29868-97-1
Synonyms: Gastrozepin, Bisvanil, Ulcosan, Leblon, Maghen, Tabe, Pirenzepine hydrochloride, Prestwick_400, LS 519 dihydrochloride, LS 519 cl2, LS 519Cl2, SPECTRUM1501138, EINECS 249-907-5, C19H21N5O2.HCl.H2O, Pirenzepine hydrochloride (USAN), Pirenzepine hydrochloride [USAN:JAN], NCGC00094263-01, NCGC00094263-02, NCGC00094263-03, LS-133129

Molecular Formula: C19H23Cl2N5O2Molecular Weight: 424.324220 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FFNMBRCFFADNAO-UHFFFAOYSA-N

• PKG inhibitor peptide
IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]pentanedioic acid | CAS Registry Number: 82801-73-8
Synonyms: Arg-7-glu, A8186_SIGMA, Arg-Lys-Arg-Ala-Arg-Lys-Glu, CID134097, Arginyl-lysyl-arginyl-alanyl-arginyl-lysyl-glutamic acid, L-Glutamic acid, N-(N2-(N2-(N-(N2-(N2-L-arginyl-L-lysyl)-L-arginyl)-L-alanyl)-L-arginyl)-L-lysyl)-

Molecular Formula: C38H74N18O10Molecular Weight: 943.108760 [g/mol]
H-Bond Donor: 17H-Bond Acceptor: 22

InChIKey: OUKSKNTVYYVIMZ-DUJSLOSMSA-N

• 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

• Pridopidine
IUPAC Name: 4-(3-methylsulfonylphenyl)-1-propylpiperidine | CAS Registry Number: 346688-38-8
Synonyms: PRIDOPIDINE, 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine, ACR16, ACR 16, AG-F-18833, 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine, FR310826, ACR16 compound, UNII-HD4TW8S2VK, Pridopidine (USAN/INN), Pridopidine [USAN:INN], SureCN166748, CHEMBL596802, CTK4H2809, CHEBI:696524, ASP 2314, DNC010449, AKOS015891431, AK136772, FR 310826

Molecular Formula: C15H23NO2SMolecular Weight: 281.413620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YGKUEOZJFIXDGI-UHFFFAOYSA-N

• prifinium bromide
IUPAC Name: 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide | CAS Registry Number: 4630-95-9
Synonyms: Padrin, Riabal, Pyrodifenium bromide, Padrin (TN), Prifinio bromuro [DCIT], Prifinium bromide [INN:JAN], Prifinii bromidum [INN-Latin], Prifinium bromide (JAN/INN), Bromure de prifinium [INN-French], Bromuro de prifinio [INN-Spanish], EINECS 225-051-8, C22H28N, LS-138326, D01377, 1,1-Diethyl-2-methyl-3-diphenylmethylenepyrrolidinium bromide, 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide, 3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine ethyl bromide, Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, bromide, Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide, 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium bromide

Molecular Formula: C22H28BrNMolecular Weight: 386.368420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UCGJZJXOPSNTGZ-UHFFFAOYSA-M

• 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

• Propyl gallate
IUPAC Name: propyl 3,4,5-trihydroxybenzoate | CAS Registry Number: 121-79-9
Synonyms: propyl gallate, N-Propyl gallate, Nipagallin P, Progallin P, Tenox PG, Gallate, Propyl, n-propyl-gallate, Pro gallin P, Nipanox S 1, Gallic acid, propyl ester, Propyl 3,4,5-trihydroxybenzoate, Gallic acid propyl ester, Propyl gallate (NF), NIPA 49, CCRIS 541, FEMA No. 2947, HSDB 591, Oprea1_580415, CBDivE_013134, n-Propyl 3,4,5-trihydroxybenzoate

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ZTHYODDOHIVTJV-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

• Pyridone 6
Synonyms: JAK Inhibitor I, InSolution™ JAK Inhibitor I, Merck-5, 2-(1,1-Dimethylethyl)-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinolin-7-one, 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE, IZA, 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, P6, JAK Inhibitor, Compound # 2, Kinome_3740, PubChem22471, 2b7a, Tetracyclic Pyridone, 1, SureCN904545, SureCN1679794, CMP 6, CHEMBL21156, STO185, CTK8E9239

Molecular Formula: C18H16FN3OMolecular Weight: 309.337543 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VNDWQCSOSCCWIP-UHFFFAOYSA-N

• Quercetagetin
IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one | CAS Registry Number: 90-18-6
Synonyms: 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

• Raf inhibitor 1
IUPAC Name: 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | CAS Registry Number: 1093100-40-3
Synonyms: 3idp, L1E, N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(7h-Purin-6-Yl)pyridin-2-Yl]isoquinoline-1,5-Diamine, CHEMBL1197798, pyridylpurine aminoisoquinoline, 1, KB-57267, N1-(4-chlorophenyl)-6-methyl-N5-[3-(9H-purin-6-yl)pyridin-2-yl]-isoquinoline-1,5-diamine

Molecular Formula: C26H19ClN8Molecular Weight: 478.935660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: KKVYYGGCHJGEFJ-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

• RepSox
IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine | CAS Registry Number: 446859-33-2
Synonyms: 1vjy, ALK5 Inhibitor II, CHEBI:406655, TGF-beta RI Kinase Inhibitor II, CID449054, IN1052, EN002636, 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine, 2-[3-(6-methylpyridin-2-yl)-2H-pyrazol-4-yl]-1,5-naphthyridine, Transforming Growth Factor-beta Type I Receptor Kinase Inhibitor II, 2-[3-(6-Methyl-pyridin-2-yl)-1H-pyrazol-4-yl]-[1,5]naphthyridine

Molecular Formula: C17H13N5Molecular Weight: 287.318620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-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

• RG7713
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, RO 5028442, (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

• RGB-286638 free base
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: RGB-286638, UNII-1GAJ98SC2X, RGB 286638, Tube008, 1GAJ98SC2X, 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
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide | CAS Registry Number: 168273-06-1
Synonyms: 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, NCGC00164572-01

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

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

• RIPK1-IN-7
IUPAC Name: 1-[5-(4-amino-7-ethylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)phenyl]ethanone | CAS Registry Number: 2300982-44-7
Synonyms: CHEMBL4281823, RIPK1 inhibitor 22b, SCHEMBL22374924, GTPL10155, BDBM50466038, compound 22b [PMID: 30480444], HY-119933, CS-0078801, 1-(5-(4-Amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-2-(3-(trifluoromethoxy)phenyl)ethan-1-one, 1-(5-{4-Amino-7-ethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2,3-dihydro-1H-indol-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethan-1-one

Molecular Formula: C25H22F3N5O2Molecular Weight: 481.500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: APPXQUDJLJXULP-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

• 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

• RSVA405
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, RSVA 405, 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

• Safranal
IUPAC Name: 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde | CAS Registry Number: 116-26-7
Synonyms: Dehydro-beta-cyclocitral, FEMA No. 3389, W338907_ALDRICH, 17306_FLUKA, EINECS 204-133-7, 2,3-Dihydro-2,2,6-trimethylbenzaldehyde, 2,6,6-Trimethyl-1,3-cyclohexadienal, CID61041, CPD-8669, LS-3133, 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene, 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal, (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal, 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-, InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SGAWOGXMMPSZPB-UHFFFAOYSA-N

• SAG
IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide | CAS Registry Number: 912545-86-9
Synonyms: CHEMBL1221983, CHEMBL2160033, AC1NR49D, SureCN8437026, SureCN10029769, SureCN14707297, NCGC00347954-01, 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide, 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- benzo[b]thiophene-2-carboxamide, N-(3-(Pyridin-4yl)benzyl)-3-chloro-N-(4-(trans-methylamino)cyclohexyl)benzo[b] thiophene-2-carboxamide

Molecular Formula: C28H28ClN3OSMolecular Weight: 490.059420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-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)
• SC99
IUPAC Name: (1Z)-N-(3-chloro-4-fluoroanilino)-2-(4-chlorophenyl)-2-oxoethanimidoyl cyanide | CAS Registry Number: 882290-02-0
Synonyms: 2-(2-(3-Chloro-4-fluorophenyl)hydrazono)-3-(4-chlorophenyl)-3-oxo-propanenitrile, ZINC168798

Molecular Formula: C15H8Cl2FN3OMolecular Weight: 336.100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZKULFSMYRSFHKE-STZFKDTASA-N

• Senecionine N-oxide
Synonyms: Senecionine 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

• Shogaol
IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one | CAS Registry Number: 555-66-8
Synonyms: 6-Shogaol, (6)-Shogaol, [6]-Shogaol, Ambap4006, CCRIS 2038, MEGxp0_001217, ACon1_001190, CID5281794, NCGC00169591-01, LS-59420, C10494, 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl), 4-DECEN-3-ONE, 1-(4-HYDROXY-3-METHOXYPHENYL)-

Molecular Formula: C17H24O3Molecular Weight: 276.370660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OQWKEEOHDMUXEO-BQYQJAHWSA-N

• Sinapine
IUPAC Name: 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium | CAS Registry Number: 18696-26-9
Synonyms: 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
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: 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

• SM-7368
IUPAC Name: 3-chloro-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide | CAS Registry Number: 380623-76-7
Synonyms: NF-kappaB Activation Inhibitor III, 3-Chloro-4-nitro-N-(5-nitro-2-thiazolyl)-benzamide, AGN-PC-00B4HT, CTK8E4433, Benzamide, 3-chloro-4-nitro-N-(5-nitro-2-thiazolyl)-

Molecular Formula: C10H5ClN4O5SMolecular Weight: 328.688500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XCHLNGBTHLJLFG-UHFFFAOYSA-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

• SN-38
Synonyms: Camptothecin analog, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-, (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• Sodium copper chlorophyllin B
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 dichloroacetate
IUPAC Name: sodium 2,2-dichloroacetate | CAS Registry Number: 2156-56-1
Synonyms: Dichloroacetate, Ceresine, Ceresine (TN), Dichloroctan sodny [Czech], Cpc 211, Dichloroacetic acid sodium salt, Dichloroacetate sodium salt, Sodium dichloroacetate [USAN], CCRIS 7697, Sodium dichloroacetate (USAN), 347795_ALDRICH, Dichloroacetic acid, sodium salt, EINECS 218-461-3, ACETIC ACID, DICHLORO-, SODIUM SALT, NCGC00167845-01, LS-11667, D05857, DCA

Molecular Formula: C2HCl2NaO2Molecular Weight: 150.923910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LUPNKHXLFSSUGS-UHFFFAOYSA-M

• 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

• Sofiniclin
IUPAC Name: (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane | CAS Registry Number: 799279-80-4
Synonyms: Sofinicline, ABT-894, A-422894.0, Sofinicline (USAN), Sofinicline [USAN:INN], UNII-SQC232V4YY, CHEMBL238465, ABT 894, CHEBI:504474, D09382, A 422894.0, 3,6-Diazabicyclo(3.2.0)heptane, 3-(5,6-dichloro-3-pyridinyl)-, (1S,5S)-

Molecular Formula: C10H11Cl2N3Molecular Weight: 244.120440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MBQYQLWSBRANKQ-IMTBSYHQSA-N

• 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


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