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APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Address: 6851 Oak Hall Lane, Suite 101, Columbia, Maryland 21045, USA
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Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• Vanillic Acid
IUPAC Name: 4-hydroxy-3-methoxybenzoic acid | CAS Registry Number: 121-34-6
Synonyms: Vanillic acid, Acide vanillique, Vanillate, p-Vanillic acid, Acid, Vanillic, 4-HYDROXY-3-METHOXYBENZOIC ACID, m-Anisic acid, 4-hydroxy-, Benzoic acid, 4-hydroxy-3-methoxy-, VA (VAN), 4-Hydroxy-3-methoxybenzoate, 3-Methoxy-4-hydroxybenzoic acid, WLN: QVR DQ CO1, H36001_ALDRICH, MLS000574833, Protocatechuic acid, 3-methyl ester, W398802_ALDRICH, NSC 3987, 4 Hydroxy 3 methoxybenzoic Acid, 94770_FLUKA, CHEBI:30816

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-N

• Vecuronium Bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 50700-72-6
Synonyms: Norcuron, Vecuronium, VECURONIUM BROMIDE, Norcuron (TN), Vecuronium Hydrobromide, Org-NC-45, ORG NC 45, ORG-NC45, Vecuronii bromidum [INN-Latin], MLS001424317, ORG-NC 45, NC-45, Bromure de vecuronium [INN-French], Bromuro de vecuronio [INN-Spanish], EINECS 256-723-9, C34H57N2O4, Vecuronium bromide (JAN/USAN/INN), Vecuronium bromide [USAN:BAN:INN:JAN], DB01339, CPD000471625

Molecular Formula: C34H57BrN2O4Molecular Weight: 637.731380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VEPSYABRBFXYIB-PWXDFCLTSA-M

• Vinblastine Sulphate
Synonyms: Velban, Vinblastine sulfate, VLB monosulfate, Velbe, Vinblastine 5, Velsar, Rozevin sulfate, EXAL, Belvan, VLB, Vincaleukoblastine, Velban (TN), Vinblastine sulphate, Exal (TN), Vincaleucoblastine sulfate, Vincaleukoblastine sulfate, Vincaleukoblastine, sulfate, Vinblastine Sulfate Hydrate, Vinblastine, sulfate, hydrate, CCRIS 2584, CHEBI:9984

Molecular Formula: C46H60N4O13SMolecular Weight: 909.052600 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 17

InChIKey: KDQAABAKXDWYSZ-JKDPCDLQSA-N

• Vincristine Sulphate
Synonyms: Oncovin, Kyocristine, Vincrisul, Onkovin, Vincristine sulfate, Vincrex, VCR sulfate, vincristine, Leurocristine, Vincasar PFS, Vincristine sulphate, Oncovin (TN), Leurocristine sulfate, Vincristine, sulfate, Lilly 37231, Leurocristine, sulfate, Vincristinsulfat [German], Ambap1387, Vincristine Sulfate PFS, CCRIS 2583

Molecular Formula: C46H58N4O14SMolecular Weight: 923.036120 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 17

InChIKey: AQTQHPDCURKLKT-JKDPCDLQSA-N

• Vitamin A
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol | CAS Registry Number: 68-26-8
Synonyms: retinol, Vitamin A1, all-trans-Retinol, Axerophthol, Alphalin, Oleovitamin A, Alphasterol, Ophthalamin, Apostavit, Aquasynth, Biosterol, Epiteliol, Prepalin, Testavol, Veroftal, Agiolan, Agoncal, Anatola, Myvpack, Afaxin

Molecular Formula: C20H30OMolecular Weight: 286.451600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N

• Vitamin B1
IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride | CAS Registry Number: 59-43-8
Synonyms: thiamin, thiamine, Vitaneurin, Aneurine, Betabion, Bethiamin, Oryzanin, Oryzanine, Beivon, Apatate drape, vitamin B1, Thiamine monochloride, Thiamine, chloride, B-Amin, Thiaminum [INN-Latin], Tiamina [INN-Spanish], Thiamine [INN:BAN], thiamine(1+) chloride, Thiamine monohydrochloride, CCRIS 5823

Molecular Formula: C12H17ClN4OSMolecular Weight: 300.807580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MYVIATVLJGTBFV-UHFFFAOYSA-M

• Vitamin B6 Granular
IUPAC Name: (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate | CAS Registry Number: 8059-24-3
Synonyms: Adermine, vitamin B6, vitamin H, Vitamin B 6, 4-Deoxypyridoxine 5'-phosphate, EINECS 232-503-8, CID104817, CPD0-1221, LS-187072, D025101, 883-84-1 NIL |kothari| 3433509441 NIL NIL, 12001-78-4

Molecular Formula: C8H10NO5P-2Molecular Weight: 231.142461 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: RBCOYOYDYNXAFA-UHFFFAOYSA-L

• Vitamin D 3
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 67-97-0
Synonyms: cholecalciferol, Vitamin D3, Calciol, Colecalciferol, Ricketon, Trivitan, Vigorsan, Deparal, Colecalcipherol, Arachitol, Delsterol, Vigantol, Quintox, Rampage, Ebivit, Oleovitamin D3, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, FeraCol

Molecular Formula: C27H44OMolecular Weight: 384.637660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

• Xanthine (2,6-Dihydroxy Purine)
IUPAC Name: 3,7-dihydropurine-2,6-dione | CAS Registry Number: 69-89-6
Synonyms: xanthine, Pseudoxanthine, Isoxanthine, Xanthin, Xanthic oxide, 2,6-dioxopurine, Purine analog, 7H-xanthine, 9H-xanthine, Purine-2,6-diol, 1H-Purine-2,6-diol, 2-Oxohypoxanthine, 2,6-Dihydroxypurine, Xanthine (VAN), nchembio.92-comp4, 9H-Purine-2,6-diol, 2,6(1,3)-Purinedion, USAF CB-17, CCRIS 994, MolMap_000070

Molecular Formula: C5H4N4O2Molecular Weight: 152.110860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N

• Z-Lys(Boc)-OH
IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 4-Hydroxyquinoline
IUPAC Name: 1H-quinolin-4-one | CAS Registry Number: 611-36-9
Synonyms: 4-Quinolinol, Quinolin-4-ol, Kynurine, 4-Chinolinol, Quinoline, 4-hydroxy-, Fragment 18, quinolin-4(1H)-one, 4(1H)-Quinolinone, CCRIS 4329, Oprea1_521432, 4-Quinolinol (8CI,9CI), H58005_ALDRICH, NSC 3183, CHEBI:15815, EINECS 210-268-2, NSC3183, AIDS020542, KUC100207N, AIDS-020542, BRN 1524969

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N

• 4-(n-Ethyl-n-cyanoethyl)amino-2-methyl benzaldehyde
IUPAC Name: 3-(N-ethyl-4-formyl-3-methylanilino)propanenitrile | CAS Registry Number: 119-97-1
Synonyms: 528315_ALDRICH, EINECS 204-362-2, ZINC01847834, 2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde, 3-(Ethyl(4-formyl-3-methylphenyl)amino)propiononitrile, T0515-3093, Propanenitrile, 3-(ethyl(4-formyl-3-methylphenyl)amino)-

Molecular Formula: C13H16N2OMolecular Weight: 216.278940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VTXVKMVZEXXUIC-UHFFFAOYSA-N

• 3-Hydroxy-4-methoxybenzoic Acid
IUPAC Name: 3-hydroxy-4-methoxybenzoic acid | CAS Registry Number: 645-08-9
Synonyms: Isovanillic acid, Acide isovanillique, 3-Hydroxyanisic acid, 3-Hydroxy-p-anisic acid, p-Anisic acid, 3-hydroxy-, 3-HYDROXY-4-METHOXYBENZOIC ACID, 220108_ALDRICH, EINECS 211-430-5, Benzoic acid, 3-hydroxy-4-methoxy-, BRN 2208365, LS-20099, ST5406548, TL8004579, 4-10-00-01460 (Beilstein Handbook Reference), InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBKFGYZQBSGRHY-UHFFFAOYSA-N

• 2-Nitro-para-Phenylene Diamine
IUPAC Name: 2-nitrobenzene-1,4-diamine | CAS Registry Number: 5307-14-2
Synonyms: Durafur Brown, Fouramine 2R, Ursol Brown RR, Zoba Brown RR, Durafur Brown 2R, Fourrine 36, Fourrine Brown 2R, Oxidation base 22, Dye GS, du rafur brown, Nitro-p-phenylenediamine, o-Nitro-p-phenylenediamine, 2,5-Diaminonitrobenzene, 4-Amino-2-nitroaniline, 1,4-Diamino-2-nitrobenzene, p-Phenylenediamine, 2-nitro-, 2-NITRO-P-PHENYLENEDIAMINE, 2-Nitro-1,4-phenylenediamine, 2-Nitro-1,4-benzenediamine, 2-Nitro-4-aminoaniline

Molecular Formula: C6H7N3O2Molecular Weight: 153.138680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HVHNMNGARPCGGD-UHFFFAOYSA-N

• 2-Chloromandelic acid
IUPAC Name: 2-(2-chlorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 10421-85-9
Synonyms: Maybridge3_004881, (2-Chlorophenyl)glycolic acid, 530182_ALDRICH, NSC31401, EINECS 233-900-9, NSC 31401, SBB003705, IDI1_016268, AI3-07572, Benzeneacetic acid, 2-chloro-alpha-hydroxy-, SR-01000640397-1

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RWOLDZZTBNYTMS-UHFFFAOYSA-N

• 2,4-Dihydroxy-6,7-Dimethoxyquinazoline
IUPAC Name: 6,7-dimethoxy-1H-quinazoline-2,4-dione | CAS Registry Number: 28888-44-0
Synonyms: Oprea1_517280, 329258_ALDRICH, 6,7-Dimethoxyquinazoline-2,4-dione, BB_NC-0679, EINECS 249-288-1, 6,7-Dimethoxy-2,4-quinazolinedione, CID120081, ZINC00120622, NCGC00160264-01, 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione, ST5307686, TL8002279, 6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione

Molecular Formula: C10H10N2O4Molecular Weight: 222.197400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-N

• 2-Amino-3-Chloro Benzoic Acid
IUPAC Name: 2-amino-3-chlorobenzoic acid | CAS Registry Number: 6388-47-2
Synonyms: 2-Amino-3-chlorobenzoic acid, 3-Chloroanthranilic acid, Anthranilic acid, 3-chloro-, 362271_ALDRICH, Benzoic acid, 2-amino-3-chloro-, NSC20671, EINECS 228-996-4, SBB003844, TL8007342, InChI=1/C7H6ClNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWUAMROXVQLJKA-UHFFFAOYSA-N

• 2-Chloro-4,6-Dimethoxy Pyrimidine
IUPAC Name: 2-chloro-4,6-dimethylpyrimidine | CAS Registry Number: 4472-44-0
Synonyms: 2-Chloro-4,6-dimethylpyrimidine, NSC49016, NSC 49016, PYRIMIDINE, 2-CHLORO-4,6-DIMETHYL-, CID20550, BRN 0110697, ZINC01529072, LS-134909, ST5160455, 5-23-05-00401 (Beilstein Handbook Reference), AF-399/25039008

Molecular Formula: C6H7ClN2Molecular Weight: 142.586180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZVPFDOTMFYQHR-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Benzonitrile
IUPAC Name: 2-chloro-5-nitrobenzonitrile | CAS Registry Number: 16588-02-6
Synonyms: 2-Chloro-5-nitrobenzonitrile, Benzonitrile, 2-chloro-5-nitro-, 135712_ALDRICH, EINECS 240-643-6, 2-Chlor-5-nitrobenzonitril [German], NSC28973, ZINC00164503, LS-38665, ST5406624, TL8001273, T5654936

Molecular Formula: C7H3ClN2O2Molecular Weight: 182.563920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZGILLTVEEBNDOB-UHFFFAOYSA-N

• 3-Fluoro Benzyl Cyanide
IUPAC Name: 2-(3-fluorophenyl)acetonitrile | CAS Registry Number: 501-00-8
Synonyms: 3-Fluorobenzyl cyanide, m-Fluorophenylacetonitrile, 3-Fluorophenylacetonitrile, Benzeneacetonitrile, 3-fluoro-, (3-Fluorophenyl)acetonitrile, F13355_ALDRICH, M-FLUOROBENZYL CYANIDE, Acetonitrile, (m-fluorophenyl)-, JRD-0527, NSC88318, EINECS 207-918-2, NSC 88318, ZINC00404417, PB240205026, 10036-43-8, InChI=1/C8H6FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DEJPYROXSVVWIE-UHFFFAOYSA-N

• 4-Bromo-1,2-Dimethyl Benzene
IUPAC Name: 4-bromo-1,2-dimethylbenzene | CAS Registry Number: 583-71-1
Synonyms: 4-Bromo-o-xylene, 3,4-Xylyl bromide, o-Xylene, 4-bromo-, 3,4-Dimethylbromobenzene, 4-Bromo-1,2-xylene, 4-Bromo-1,2-dimethylbenzene, Benzene, 4-bromo-1,2-dimethyl-, 3,4-Dimethylphenyl bromide, 1-Bromo-3,4-dimethylbenzene, B83800_ALDRICH, NSC60147, EINECS 209-518-3, CID68504, BRN 2040354, o-Xylene, 4-bromo- (6CI,7CI,8CI), AI3-07015, LS-29196, ST5406329, TL8003740, 4-05-00-00928 (Beilstein Handbook Reference)

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QOGHRLGTXVMRLM-UHFFFAOYSA-N

• 4-Fluoro Benzotrifluoride
IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-44-8
Synonyms: p-Fluorobenzotrifluoride, 4-Fluorobenzotrifluoride, p-Fluorotrifluoromethylbenzene, NCIOpen2_001285, p-(Trifluoromethyl)fluorobenzene, 1-Fluoro-4-(trifluoromethyl)benzene, 195359_ALDRICH, alpha,alpha,alpha,4-Tetrafluorotoluene, Benzene, 1-fluoro-4-(trifluoromethyl)-, JRD-0200, NSC88289, EINECS 206-944-1, NSC 88289, ZINC00164437, alpha,alpha,alpha,p-Tetrafluorotoluene, Toluene, p,alpha,alpha,alpha-tetrafluoro-, ST5406422, .alpha.,.alpha.,.alpha.,p-Tetrafluorotoluene, p,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, p,.alpha.,.alpha.,.alpha.-tetrafluoro-

Molecular Formula: C7H4F4Molecular Weight: 164.100273 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N

• 5-Chloroisatin
IUPAC Name: 5-chloro-1H-indole-2,3-dione | CAS Registry Number: 17630-76-1
Synonyms: 5-Chloro-1H-indole-2,3-dione, 5-CHLORO ISATIN, Isatin-based compound, 33, 1H-Indole-2,3-dione, 5-chloro-, 140562_ALDRICH, AIDS163138, AIDS-163138, EINECS 241-614-0, NSC135811, SBB003741, ZINC01722141, NSC 135811, 1H-Indole-2,3-dione, 5-chloro- (9CI), C-5120, AE-848/31767042, InChI=1/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12

Molecular Formula: C8H4ClNO2Molecular Weight: 181.575860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHDJYQWGFIBCEP-UHFFFAOYSA-N

• 2-Amino-5-Methylbenzoic Acid
IUPAC Name: 2-amino-5-methylbenzoic acid | CAS Registry Number: 2941-78-8
Synonyms: 5-Methylanthranilic acid, 5-methylanthranilate, 2-Amino-5-methylbenzoic acid, 6-Amino-m-toluic acid, m-Toluic acid, 6-amino-, 5 - methylanthranilic acid, 419443_ALDRICH, 08403_FLUKA, Benzoic acid, 2-amino-5-methyl-, ALBB-006381, NSC39154, NSC50786, EINECS 220-932-3, CPD0-1488, SBB016389, FR-2396, InChI=1/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NBUUUJWWOARGNW-UHFFFAOYSA-N

• 1-Aminohydantoin
IUPAC Name: 1-aminoimidazolidine-2,4-dione;hydrochloride | CAS Registry Number: 2827-56-7
Synonyms: 1-Aminohydantoin hydrochloride, 1-aminoimidazolidine-2,4-dione hydrochloride, SBB004061, 1-Aminohydantoin HCl, AC1Q3DFU, ACMC-209h1m, SureCN1126384, 1-Amino hydantoin hydrochloride, 33655_RIEDEL, 545953_ALDRICH, Jsp005434, 33655_FLUKA, CTK1A1799, MolPort-001-760-484, ANW-26360, AKOS007930192, AG-A-18459, MCULE-7370713803, RP21519, AK-81573

Molecular Formula: C3H6ClN3O2Molecular Weight: 151.551640 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WEOHANUVLKERQI-UHFFFAOYSA-N

• 2,4-Difluoro-3-Methoxy Benzoic Acid
IUPAC Name: 2,4-difluoro-3-methoxybenzoic acid | CAS Registry Number: 178974-97-5
Synonyms: Ambap6959, JRD-1454, 2,4-Difluoro-3-methoxybenzoic acid

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KWLIGHXPUYUTBH-UHFFFAOYSA-N

• 1,3,5-Benzenetricarboxylic Acid
IUPAC Name: benzene-1,3,5-tricarboxylic acid | CAS Registry Number: 554-95-0
Synonyms: Trimesic acid, Trimesinic acid, Trimesitinic acid, 5-Carboxyisophthalic acid, 1,3,5-Tricarboxybenzene, 1,3,5-BENZENETRICARBOXYLIC ACID, Ambap1488, benzene-1,3,5-tricarboxylic acid, NCIOpen2_009462, 482749_ALDRICH, NSC 3998, 92130_FLUKA, CHEBI:46032, EINECS 209-077-7, NSC3998, AIDS018148, AIDS-018148, AI3-06468, LS-195254, TL8003619

Molecular Formula: C9H6O6Molecular Weight: 210.140340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-N

• 2-Methyl benzophenone
IUPAC Name: (2-methylphenyl)-phenylmethanone | CAS Registry Number: 131-58-8
Synonyms: o-Methylbenzophenone, 2-Methylbenzophenone, Phenyl o-tolyl ketone, Benzophenone, 2-methyl-, Ambap330, o-tolyl-phenyl-methanone, Methanone, (2-methylphenyl)phenyl-, NCIOpen2_000278, CBiol_000844, 157538_ALDRICH, Benzophenone, 2-methyl- (8CI), NSC67362, EINECS 205-032-0, ICCB4_000140, NSC 67362, ZINC01694419, AI3-11216

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CKGKXGQVRVAKEA-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic Acid
IUPAC Name: 2-[1-(carboxymethyl)cyclohexyl]acetic acid | CAS Registry Number: 4355-11-7
Synonyms: 1,1-Cyclohexanediacetic acid, Cyclohexanediacetic acid, 1,1-Cyclohexane diacetic acid, Oprea1_388207, 171344_ALDRICH, CID78061, NSC39839, EINECS 224-427-9, NSC169443, [1-(carboxymethyl)cyclohexyl]acetic acid, AN-829/41297703, T5641089, 9355-11-7

Molecular Formula: C10H16O4Molecular Weight: 200.231640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YQPCHPBGAALCRT-UHFFFAOYSA-N

• 2,6-Difluorobenzonitrile
IUPAC Name: 2,6-difluorobenzonitrile | CAS Registry Number: 1897-52-5
Synonyms: Benzonitrile, 2,6-difluoro-, 2,6-Difluoro-benzonitrile, 186783_ALDRICH, 2,6-DIFLUORO BENZONITRILE, ZINC00164372, BB_SC-4524, CID74695, JRD-0121, EINECS 217-589-7, TL8001545, InChI=1/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BNBRIFIJRKJGEI-UHFFFAOYSA-N

• 2-Amino-5,6-Dichloro Benzothiazole
IUPAC Name: 5,6-dichloro-1,3-benzothiazol-2-amine | CAS Registry Number: 24072-75-1
Synonyms: CCRIS 742, 2-Benzothiazolamine, 5,6-dichloro-, 5,6-Dichlorobenzothiazol-2-amine, EINECS 246-006-9, 5,6-DICHLORO-2-BENZOTHIAZOLAMINE, 2-Amino-5,6-dichloro-benzothiazole, LS-1037, 5,6-Dichloro-1,3-benzothiazol-2-amine, SL-02027

Molecular Formula: C7H4Cl2N2SMolecular Weight: 219.091060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GHKHTBMTSUEBJD-UHFFFAOYSA-N

• 2-Chloro-4-Pyridine Carbonitrile
IUPAC Name: 2-chloropyridine-4-carbonitrile | CAS Registry Number: 33252-30-1
Synonyms: 2-Chloro-4-cyanopyridine, 4-Cyano-2-chloropyridine, 2-Chloro-isonicotinonitrile, 548227_ALDRICH, 2-Chloro-4-pyridinecarbonitrile, 2-Chloropyridine-4-carbonitrile, 4-Pyridinecarbonitrile, 2-chloro-, ZINC00154100, FS000570, TL806404, 1Y-0715, AC-907/30003049

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N

• 2-Chlorobenzothiazole
IUPAC Name: 2-chloro-1,3-benzothiazole | CAS Registry Number: 615-20-3
Synonyms: BENZOTHIAZOLE, 2-CHLORO-, USAF EK-2784, 2-Chloro-1,3-benzothiazole, 167576_ALDRICH, WLN: T56 BN DSJ CG, NSC 8442, EINECS 210-415-0, NSC8442, AIDS019691, AIDS-019691, BRN 0116316, ZINC00152274, AI3-63118, AC 17349, LS-40712, 4-27-00-01072 (Beilstein Handbook Reference), InChI=1/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BSQLQMLFTHJVKS-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Benzoic Acid
IUPAC Name: 3,4,5-trimethoxybenzoic acid | CAS Registry Number: 118-41-2
Synonyms: Eudesmic acid, Trimethylgallic acid, Gallic acid trimethyl ether, Tri-O-methylgallic acid, Spectrum_000082, SpecPlus_000919, Veratric acid, 5-methoxy-, Spectrum2_000791, Spectrum3_000260, Spectrum4_001625, Spectrum5_000409, 3,4,5-TRIMETHOXYBENZOIC ACID, Benzoic acid, 3,4,5-trimethoxy-, Oprea1_180796, BSPBio_001680, CBDivE_013176, CBDivE_014084, KBioGR_002029, KBioSS_000502, T69000_ALDRICH

Molecular Formula: C10H12O5Molecular Weight: 212.199280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-N

• 3,5-Dichlorobenzoic Acid
IUPAC Name: 3,5-dichlorobenzoic acid | CAS Registry Number: 51-36-5
Synonyms: 3,5-DICHLOROBENZOIC ACID, Benzoic acid, 3,5-dichloro-, DICHLOROBENZOIC ACID, PS1107_SUPELCO, D57507_ALDRICH, 35321_FLUKA, EINECS 200-092-4, BRN 2044776, LS-155, AI3-27555, NCGC00091834-01, ST5308119, 4-09-00-01008 (Beilstein Handbook Reference), InChI=1/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11, 75248-87-2

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CXKCZFDUOYMOOP-UHFFFAOYSA-N

• 4,4 (Chlorophenyl)-4-Hydroxy Piperdine
IUPAC Name: 4-(4-chlorophenyl)piperidin-4-ol | CAS Registry Number: 39512-49-7
Synonyms: Haloperidol metabolite I, Maybridge1_002157, Oprea1_639892, C66056_ALDRICH, 4-p-Chlorophenyl-4-piperidinol, 4-(p-Chlorophenyl)-4-hydroxypiperidine, 4-(p-Chlorophenyl)-4-piperidinol, 4-(p-Chlorophenyl)piperidin-4-ol, 4-(4-CHLOROPHENYL)-4-PIPERIDINOL, NSC89568, EINECS 254-479-8, 4-(4'-Chlorophenyl)-4-piperidinol, 4-(4-Chlorophenyl)-4-hydroxypiperidine, SBB003427, 4-(para-Chlorophenyl)-4-hydroxypiperidine, 4-Piperidinol, 4-(4-chlorophenyl)-, SDCCGMLS-0065872.P001, 4-Hydroxy-4-(4-chlorophenyl)piperidine, 4-Hydroxy-4-(p-chlorophenyl)piperidine, LS-192373

Molecular Formula: C11H14ClNOMolecular Weight: 211.687960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LZAYOZUFUAMFLD-UHFFFAOYSA-N

• 4-Carboxybenzaldehyde
IUPAC Name: 4-formylbenzoic acid | CAS Registry Number: 619-66-9
Synonyms: Benzoic acid, 4-formyl-, Terephthalaldehydic acid, p-Carboxybenzaldehyde, p-Formylbenzoic acid, Terephthaldehydic acid, 4-Carboxybenzaladehyde, 4-FORMYLBENZOIC ACID, 4-Formyl-benzoic acid, para-carboxybenzaldehyde, HSDB 5719, MLS001055479, Benzaldehyde-4-carboxylic acid, 124915_ALDRICH, 21873_FLUKA, EINECS 210-607-4, 4-Carboxybenzaldehyde treated BSA, NSC 15797, AIDS189650, AIDS-189650, NSC15797

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GOUHYARYYWKXHS-UHFFFAOYSA-N

• 4-Chloro Acetyl Catechol
IUPAC Name: 2-chloro-1-(3,4-dihydroxyphenyl)ethanone | CAS Registry Number: 99-40-1
Synonyms: 4-(Chloroacetyl)catechol, 2-Chloro-3',4'-dihydroxyacetophenone, C34405_ALDRICH, 3,4-Dihydroxyphenacyl chloride, ARK076, 4-(CHLORACETAL)CATECHOL, CHEBI:51844, NSC13905, NSC17869, EINECS 202-754-8, Ethanone, 2-chloro-1-(3,4-dihydroxyphenyl)-, STK077070, ZINC01592068, .alpha.-Chloro-3,4-dihydroxyacetophenone, 2-Chloro-1-(3,4-dihydroxyphenyl)ethanone, chloromethyl 3,4-dihydroxyphenyl ketone, Acetophenone, 2-chloro-3',4'-dihydroxy-, AI3-25258, .alpha.-Chloro-3',4'-dihydroxyacetophenone, InChI=1/C8H7ClO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,10-11H,4H

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWTJEJCZJFZKEL-UHFFFAOYSA-N

• 5-FOA
IUPAC Name: 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 703-95-7
Synonyms: 5-Fluoroorotate, Fluoroorotic acid, 5-Fluoroorotic acid, Orotic acid, 5-fluoro-, 5-Fluoroorotic acid (VAN), 5-Fluoroorotic acid hydrate, WLN: T6VMVMJ EVQ FF, MLS000737636, 5-Fluorouracil-4-carboxylic acid, ENT-26398, NSC 31712, Ro 2-9945, EINECS 211-876-0, Orotic acid, 5-fluoro- (VAN), NSC31712, WR 152520, AI3-26398, Orotic acid, 5-fluoro- (VAN) (8CI), SMR000393806, LS-134889

Molecular Formula: C5H3FN2O4Molecular Weight: 174.086723 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: SEHFUALWMUWDKS-UHFFFAOYSA-N

• 1,3-Diamino-2-Propanol
IUPAC Name: 1,3-diaminopropan-2-ol | CAS Registry Number: 616-29-5
Synonyms: Diaminoisopropanol, 1,3-Diamino-2-propanol, 1,3-Diamino-2-hydroxypropane, 1,3-Diaminopropan-2-ol, 2-Hydroxy-1,3-diaminopropane, 2-Hydroxy-1,3-propanediamine, D18609_ALDRICH, 2-PROPANOL, 1,3-DIAMINO-, 33262_FLUKA, NSC6070, CID61157, NSC 6070, EINECS 210-474-2, AI3-15325, TL8003910, 120687-58-3, 13552-30-2, 98923-22-9

Molecular Formula: C3H10N2OMolecular Weight: 90.124300 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: UYBWIEGTWASWSR-UHFFFAOYSA-N

• 2-Amino-6-Methylbenzoic Acid
IUPAC Name: 2-amino-6-methylbenzoic acid | CAS Registry Number: 4389-50-8
Synonyms: 6-Methylanthranilate, 6-Methylanthranilic acid, 6-Amino-o-toluic acid, 2-Amino-6-methylbenzoic acid, 230537_ALDRICH, 08402_FLUKA, Benzoic acid, 2-amino-6-methyl-, SB 00723, InChI=1/C8H9NO2/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XHYVBIXKORFHFM-UHFFFAOYSA-N

• 4-Benzyloxy-3-nitroacetophenone
IUPAC Name: 1-(3-nitro-4-phenylmethoxyphenyl)ethanone | CAS Registry Number: 14347-05-8
Synonyms: 4'-Benzyloxy-3'-nitroacetophenone, 1-(4-Benzyloxy-3-nitrophenyl)ethanone, 1-(4-(Benzyloxy)-3-nitrophenyl)ethanone, 1-[3-Nitro-4-(phenylmethoxy)phenyl]ethanone, 4-Benzyloxy-3-nitro-acetophenone, 1-(3-nitro-4-(phenylmethoxy)phenyl)ethanone, PubChem7463, SureCN965943, AGN-PC-005LFP, CTK8B7678, MolPort-018-615-841, ACT04798, ANW-58166, SBB063478, ZINC02579325, AKOS000221433, AG-L-64129, LS10729, RP29640, AK-87183

Molecular Formula: C15H13NO4Molecular Weight: 271.268020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OWKGFSOHSDMRJL-UHFFFAOYSA-N

• 2-Chloromethyl-3,4-dimethoxypyridine
IUPAC Name: 2-(chloromethyl)-3,4-dimethoxypyridine;hydrochloride | CAS Registry Number: 169905-10-6
Synonyms: 72830-09-2, 2-(Chloromethyl)-3,4-dimethoxypyridine Hydrochloride, 2-(Chloromethyl)-3,4-dimethoxypyridinium hydrochloride, 2-Chloromethyl-3,4-dimethoxy pyridine hydrochloride, SBB070825, 2-chloromethyl-3 pound not4-dimethoxy-Pyridine hydrochloride, PubChem20758, ACMC-209oob, SureCN1002426, SureCN1552583, 530301_ALDRICH, MolPort-001-759-922, ACT01507, ANW-36249, AKOS007930281, MCULE-7831786055, AK-88510, KB-86977, A9446, C2073

Molecular Formula: C8H11Cl2NO2Molecular Weight: 224.084440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YYRIKJFWBIEEDH-UHFFFAOYSA-N

• 2,6-Difluorobenzyl alcohol
IUPAC Name: (2,6-difluorophenyl)methanol | CAS Registry Number: 19064-18-7
Synonyms: 2,6-Difluorobenzenemethanol, Benzenemethanol, 2,6-difluoro-, JRD-0010, EINECS 242-792-2, ZINC00409199, TL8001556

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LVICICZQETYOGS-UHFFFAOYSA-N

• (S)-(-)-alpha-Amino-omega-caprolactam
IUPAC Name: (3S)-3-aminoazepan-2-one | CAS Registry Number: 21568-87-6
Synonyms: (s)-3-aminoazepan-2-one, (s)-alpha-amino-omega-caprolactam, L-2-Amino-cycloheptalactam, (s)-3-amino-hexahydro-2-azepinone, (3S)-3-aminoazepan-2-one, (S)-3-Amino-2-azepanone, CHEBI:17342, l-Alpha-amino-epsilon-caprolactam, L-Lysine 1,6-lactam, L-2-aminohexano-6-lactam, PubChem14097, L-alpha-aminocaprolactam, C02837, AC1L99LU, SureCN1114446, (s)-3-amino-azepan-2-one, (S)-2-Aminohexano-6-lactam, AZE017, CHEMBL288850, CTK7H6369

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BOWUOGIPSRVRSJ-YFKPBYRVSA-N

• 3-Ethoxy-2-methylpyrazine
IUPAC Name: 2-ethoxy-3-methylpyrazine | CAS Registry Number: 32737-14-7
Synonyms: 2-Ethoxy-3-methylpyrazine, 2-Methyl-3-ethoxypyrazine, 2-Methyl-5-ethoxypyrazine, Pyrazine, 2-ethoxy-3-methyl-, W356905_ALDRICH, FEMA No. 3569, EINECS 251-184-6, 2-Ethoxy-3(5 or 6)-methylpyrazine, mixture, 2-Methyl-3(5 or 6)-ethoxypyrazine, mixture, InChI=1/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MMKWCKGYULOKET-UHFFFAOYSA-N

• 5-Bromo-2-methylpyridine
IUPAC Name: 5-bromo-2-methylpyridine | CAS Registry Number: 3430-13-5
Synonyms: 5-Bromo-2-picoline, 2-Methyl-5-bromopyridine, Ambap5362, 17636_FLUKA, ZINC00966674, CID1201020, TL8002552, AC-907/30003023

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OFKWIQJLYCKDNY-UHFFFAOYSA-N

• 5-Bromo-2-fluorobenzotrifluoride
IUPAC Name: 4-bromo-1-fluoro-2-(trifluoromethyl)benzene | CAS Registry Number: 393-37-3
Synonyms: 549096_ALDRICH, JRD-0414, 4-Fluoro-3-(trifluoromethyl)bromobenzene, ST5408581, TL8002840, 4-bromo-1-fluoro-2-(trifluoromethyl)benzene

Molecular Formula: C7H3BrF4Molecular Weight: 242.996333 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AJLIJYGWAXPEOK-UHFFFAOYSA-N

• (-)-Shikonin
IUPAC Name: 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione | CAS Registry Number: 517-89-5
Synonyms: shikonin, Alkannin, Anchusin, Alkanet extract, Anchusa acid, Tokyo Violet, Alkanna Red, Orkanet extract, Alcannin extract, Alkannin extract, Anchusin extract, Alkanet root extract, (+)-Shikonin, C.I. Natural Red 20, ARNEBIN-4, Alkanna tinctoria extract, Alkanet extract, inspissated, shikonin, (+)-isomer, Cerven prirodni 20 [Czech], ALKANNIN, 1-

Molecular Formula: C16H16O5Molecular Weight: 288.295240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: NEZONWMXZKDMKF-UHFFFAOYSA-N

• 2,6-Difluorobenzylbromide
IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene | CAS Registry Number: 85118-00-9
Synonyms: 2,6-Difluorobenzyl bromide, 264431_ALDRICH, alpha-Bromo-2,6-difluorotoluene, EINECS 285-652-6, JRD-0009, CID581435, SBB006564, 2-(Bromomethyl)-1,3-difluorobenzene, Benzene, 2-(bromomethyl)-1,3-difluoro-, TL8005565

Molecular Formula: C7H5BrF2Molecular Weight: 207.015406 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N


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