APAC Pharmaceutical, LLC

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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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• 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:	C₇H₄Cl₂O₂	Molecular Weight:	191.011460 [g/mol]
H-Bond Donor:	1	H-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:	C₁₁H₁₄ClNO	Molecular Weight:	211.687960 [g/mol]
H-Bond Donor:	2	H-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:	C₈H₆O₃	Molecular Weight:	150.131440 [g/mol]
H-Bond Donor:	1	H-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:	C₈H₇ClO₃	Molecular Weight:	186.592380 [g/mol]
H-Bond Donor:	2	H-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:	C₅H₃FN₂O₄	Molecular Weight:	174.086723 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: SEHFUALWMUWDKS-UHFFFAOYSA-N

• 2-Phenylbutyric acid

IUPAC Name: 2-phenylbutanoic acid | CAS Registry Number: 90-27-7
Synonyms: 2-Phenylbutanoic acid, Butyric acid, 2-phenyl-, alpha-Ethylphenylacetic acid, alpha-Phenylbutyric acid, alpha-Phenyl butyric acid, Spectrum_001673, SpecPlus_000897, Spectrum2_000510, Spectrum3_001664, Spectrum4_000626, Spectrum5_001396, ()-2-Phenylbutyric acid, .alpha.-Phenylbutyric acid, Benzeneacetic acid, alpha-ethyl-, A-PHENYLBUTYRIC ACID, WLN: QVY2&R, .alpha.-Phenyl butyric acid, BSPBio_003447, KBioGR_001212, KBioSS_002153

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OFJWFSNDPCAWDK-UHFFFAOYSA-N

• 2-(2-Hydroxyethyl)pyridine

IUPAC Name: 2-pyridin-2-ylethanol | CAS Registry Number: 103-74-2
Synonyms: Pyridine-2-ethanol, 2-PYRIDINEETHANOL, 2-Pyridylethanol, 2-(2-Pyridyl)ethanol, 2-pyridin-2-ylethanol, Ambap4520, 2-ETHANOLPYRIDINE, 2-(beta-Hydroxyethyl)pyridine, NCIOpen2_000827, HSDB 5357, 2-(2-Hydroxyethyl)-pyridine, Pyridine, 2-(2-hydroxyethyl)-, 128643_ALDRICH, NSC 2144, EINECS 203-140-2, NSC2144, AIDS020381, AIDS-020381, NSC77979, BRN 0111205

Molecular Formula:	C₇H₉NO	Molecular Weight:	123.152460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BXGYBSJAZFGIPX-UHFFFAOYSA-N

• 3,5,6-Trichloro-2-Pyridinol

IUPAC Name: 3,5,6-trichloro-1H-pyridin-2-one | CAS Registry Number: 6515-38-4
Synonyms: Caswell No. 821AA, 3,5,6-Trichloro-2-pyridone, 3,5,6-TRICHLORO-2-PYRIDINOL, 3,5,6-Trichloro-2(1H)-pyridinone, 33972_RIEDEL, 3,5,6-Trichloropyridine-2-ol, 2-Hydroxy-3,5,6-trichloropyridine, 33972_FLUKA, EINECS 229-405-2, 2(1H)-Pyridinone, 3,5,6-trichloro-, MolPort-003-930-491, EPA Pesticide Chemical Code 206900, CID23017, 2,3,5-Trichloro-6-hydroxypyridine, 37439-34-2 (hydrochloride salt), 3,5,6-trichloro-2-pyridinol sodium salt, LS-133068, TL8004617, C012587, TCP

Molecular Formula:	C₅H₂Cl₃NO	Molecular Weight:	198.434480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WCYYAQFQZQEUEN-UHFFFAOYSA-N

• 4-Sec-Butylaniline

IUPAC Name: 4-butan-2-ylaniline | CAS Registry Number: 30273-11-1
Synonyms: 4-sec-Butylaniline, p-sec-Butylaniline, 4-Amino-sec-butylbenzene, ARONIS023656, EINECS 250-108-9, AKE-BBR-007625, Benzenamine, 4-(1-methylpropyl)-, CID121771, BBR-007625

Molecular Formula:	C₁₀H₁₅N	Molecular Weight:	149.232800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: NVVVQTNTLIAISI-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:	C₆H₁₂N₂O	Molecular Weight:	128.172280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BOWUOGIPSRVRSJ-YFKPBYRVSA-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:	C₉H₆O₆	Molecular Weight:	210.140340 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-N

• 1,3,3-Trimethyl-2-Methylene Indoline (Fischer's Base)

IUPAC Name: 1,3,3-trimethyl-2-methylideneindole | CAS Registry Number: 118-12-7
Synonyms: Fischer base, Fischer's base, Fischers Base, Fischer's methylene base, 1,3,3-Trimethyl-2-methyleneindoline, CCRIS 6608, 2-Methylene-1,3,3-trimethylindoline, M46209_ALDRICH, STOCK4S-26080, 92550_FLUKA, EINECS 204-235-1, NSC 66176, Indoline, 1,3,3-trimethyl-2-methylene-, Indoline, 2-methylene-1,3,3-trimethyl-, NSC66176, BRN 0131162, ZINC01693226, 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-, LS-83461, ST5405757

Molecular Formula:	C₁₂H₁₅N	Molecular Weight:	173.254200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZTUKGBOUHWYFGC-UHFFFAOYSA-N

• 2,3,4,5-Tetrafluoro-6-Nitrobenzoic Acid

IUPAC Name: 2,3,4,5-tetrafluoro-6-nitrobenzoate | CAS Registry Number: 16583-08-7
Synonyms: ZINC02389360, CID7010299

Molecular Formula:	C₇F₄NO₄-	Molecular Weight:	238.072813 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: JQGBMYKEWLSLCI-UHFFFAOYSA-M

• 2-Mercapto-5-Methoxybenzimidazole

IUPAC Name: 5-methoxy-1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 37052-78-1
Synonyms: Maybridge1_006266, MLS000083176, 5-Methoxy-2-benzimidazolethiol, 382485_ALDRICH, BB_SC-1604, EINECS 253-326-2, SBB000219, ZINC00058273, ZINC00389869, SMR000046769, TL8002732, 5-methoxy-1,3-dihydrobenzimidazole-2-thione, 5-methoxy-1H-benzimidazol-2-yl hydrosulfide, 1,3-Dihydro-5-methoxy-2H-benzimidazole-2-thione, AN-829/05700007, SR-01000534899-3, InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12

Molecular Formula:	C₈H₈N₂OS	Molecular Weight:	180.226920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: KOFBRZWVWJCLGM-UHFFFAOYSA-N

• 2-Mercaptobenzothiazole

IUPAC Name: 3H-1,3-benzothiazole-2-thione | CAS Registry Number: 149-30-4
Synonyms: Captax, Sulfadene, Dermacid, Thiotax, Kaptax, Mertax, Rotax, Accelerator M, Mebetizole, Mebithizol, Kaptaks, Vulkacit M, Benzothiazolethiol, Rokon, Ekagom G, mebetizol, Accel M, 2-Benzothiazolethiol, Soxinol M, Vulkacit Mercapto

Molecular Formula:	C₇H₅NS₂	Molecular Weight:	167.251300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	0

InChIKey: YXIWHUQXZSMYRE-UHFFFAOYSA-N

• 3,4-Dichloroaniline

IUPAC Name: 3,4-dichloroaniline | CAS Registry Number: 95-76-1
Synonyms: 3,4-DICHLOROANILINE, 3,4-Dichloranilin, 4,5-Dichloroaniline, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, Benzenamine, 3,4-dichloro-, m.p-Dichloroaniline, Aniline, 3,4-dichloro-, m,p-dichloroaniline, 3,4-Dichlorophenylamine, 1-Amino-3,4-dichlorobenzene, 3,4-DCA, DCA (VAN), WLN: ZR CG DG, 34-DICHLOROANILINE, 4-Amino-1,2-dichlorobenzene, CCRIS 2395, nchembio.2007.32-comp5, HSDB 1319, MLS002152880

Molecular Formula:	C₆H₅Cl₂N	Molecular Weight:	162.016600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

• 3,4-Methylene Dioxy Benzene

IUPAC Name: 1,3-benzodioxole | CAS Registry Number: 274-09-9
Synonyms: Benzodioxole, 1,3-BENZODIOXOLE, 1,3-Dioxaindan, 1,3-Dioxindan, Methylenedioxybenzene, 1,3-Benzodioxolane, 1,2-Methylenedioxybenzene, 2H-1,3-Benzodioxole, 3,4-Methylenedioxybenzene, o-Methylenedioxybenzene, o-(Methylenedioxy)benzene, (Methylenedioxy)benzene, 1,2-(Methylenedioxy)benzene, Benzene, 1,2-methylenedioxy-, Benzene, 1,2-(methylenedioxy)-, ghl.PD_Mitscher_leg0.1027, 159166_ALDRICH, WLN: T56 BO DO CHJ, CHEBI:38732, EINECS 205-992-0

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N

• 4-Chlorobutyryl Chloride

IUPAC Name: 4-chlorobutanoyl chloride | CAS Registry Number: 4635-59-0
Synonyms: 4-Chlorobutyryl chloride, 4-Chlorobutanoyl chloride, Butanoyl chloride, 4-chloro-, 4-Chlorobutyroyl chloride, gamma-Chlorobutyryl chloride, gamma-Chlorobutyroyl chloride, Butyryl chloride, 4-chloro-, 4-Chlorobutyric acid chloride, .gamma.-Chlorobutyryl chloride, 4-Chlorobutanoic acid chloride, C30604_ALDRICH, HSDB 7299, 343935_ALDRICH, 24030_FLUKA, EINECS 225-059-1, ZINC02242611, LS-46883

Molecular Formula:	C₄H₆Cl₂O	Molecular Weight:	140.995840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: CDIIZULDSLKBKV-UHFFFAOYSA-N

• 4-Methylimidazole

IUPAC Name: 5-methyl-1H-imidazole | CAS Registry Number: 822-36-6
Synonyms: 4(5)-Methylimidazole, 5-Methylimidazole, 1H-Imidazole, 4-methyl-, 4-Methyl-1H-imidazole, 4-Me-i, IMIDAZOLE, 4-METHYL-, 4(or 5)-Methylimidazole, 5-Methyl-1H-imidazole, S-3-furyl ethanethioate, WLN: T5M CNJ D1, MLS001065586, 199885_ALDRICH, 67580_FLUKA, EINECS 212-497-3, NSC 40744, NSC40744, SBB004403, ethanethioic acid, S-3-furanyl ester, AI3-08274, LS-1819

Molecular Formula:	C₄H₆N₂	Molecular Weight:	82.103840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

• 5-Difluoromethoxy 2 Mercaptobenzimidazole

IUPAC Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione | CAS Registry Number: 97963-62-7
Synonyms: 5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole, 5-DIFLUOROMETHOXY-2-MERCAPTO-1H-BENZIMIDAZOLE, 5-Difluoromethoxy-2-thio-benzimidazole, AG-H-98497, 5-(Difluoromethoxy)-2-benzimidazolethiol, 2-Mercapto-5-difluoromethoxy benzimidazole, 5-(Difluoromethoxy)-2-mercaptobenzimidazole, 5-(difluoromethoxy)-1H-benzimidazole-2-thiol, 5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol, AN-829/25059002, 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione, 5-(difluoromethoxy)-1,3-dihydro-2H-benzimidazole-2-thione, ZINC03882895, PubChem7125, AC1NN9SR, ACMC-209s9c, SureCN482378, SureCN2108226, KSC486M2B, UNII-39P59C89NV

Molecular Formula:	C₈H₆F₂N₂OS	Molecular Weight:	216.207846 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HJMVPNAZPFZXCP-UHFFFAOYSA-N

• 6-Amino Penicillanic Acid

IUPAC Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | CAS Registry Number: 551-16-6
Synonyms: Penicin, Penin, 6-Aminopenicillanic acid, Aminopenicillanic acid, 6-aminopenicillanate, 6-Apa, 6-Aps, 6-Aminopenicillamine acid, Phenacyl 6-aminopenicillinate, ()-6-Aminopenicillanic acid, A70909_ALDRICH, STOCK1N-01226, CHEBI:16705, EINECS 208-993-4, NSC 50071, CID11082, AI3-52557, LS-149719, C02954, 6-amino-2,2-dimethylpenam-3alpha-carboxylic acid

Molecular Formula:	C₈H₁₂N₂O₃S	Molecular Weight:	216.257480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-N

• 2,3,4,5,6 Pentafluorobenzoic Acid

IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid | CAS Registry Number: 602-94-8
Synonyms: Pentafluorobenzoic acid, Perfluorobenzoic acid, BENZOIC ACID, PENTAFLUORO-, 2,3,4,5,6-Pentafluorobenzoic acid, P5360_ALDRICH, NCIOpen2_005348, 76700_FLUKA, CHEBI:46796, EINECS 210-026-6, NSC 88337, NSC88337, BRN 2054395, LS-38107, P107, ST5307987, TL8003818, 4-09-00-00956 (Beilstein Handbook Reference)

Molecular Formula:	C₇HF₅O₂	Molecular Weight:	212.073656 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: YZERDTREOUSUHF-UHFFFAOYSA-N

• 2-Chloro-3-Methyl Pyridine

IUPAC Name: 2-chloro-3-methylpyridine | CAS Registry Number: 18368-76-8
Synonyms: 2-Chloro-3-methylpyridine, 3-Picoline, 2-chloro-, 518948_ALDRICH, Pyridine, 2-chloro-3-methyl-, EINECS 242-242-1, ZINC00403383, C183, InChI=1/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H

Molecular Formula:	C₆H₆ClN	Molecular Weight:	127.571540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RKVUCIFREKHYTL-UHFFFAOYSA-N

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine

IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula:	C₄H₆N₄OS	Molecular Weight:	158.181640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 1,1-Cyclohexanediacetic anhydride

IUPAC Name: 9-oxaspiro[5.5]undecane-8,10-dione | CAS Registry Number: 1010-26-0
Synonyms: 553727_ALDRICH, CYCLOHEXANEDIACETIC ANHYDRIDE, SBB008597, ZINC08411625, 3-oxaspiro[5.5]undecane-2,4-dione, 3-Oxaspiro[5,5]undecane-2,4-dione, FR-2308, AN-829/40524982

Molecular Formula:	C₁₀H₁₄O₃	Molecular Weight:	182.216360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XNDSIASQMRYFSW-UHFFFAOYSA-N

• 2,3-Dimethoxybenzonitrile

IUPAC Name: 3,4-dimethoxybenzonitrile | CAS Registry Number: 2024-83-1
Synonyms: Veratronitrile, 3,4-Dimethoxybenzonitrile, 4-Cyanoveratrole, D132306_ALDRICH, 3,4-Dimethoxybenzoic acid nitrile, BENZONITRILE, 3,4-DIMETHOXY-, NSC27016, EINECS 217-969-2, NSC209526, ZINC00336934, ST5214584, AP-065/41884102, 23024-83-1, InChI=1/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OSEQIDSFSBWXRE-UHFFFAOYSA-N

• 2-Fluoro Benzotrifluoride

IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene | CAS Registry Number: 392-85-8
Synonyms: o-Fluorobenzotrifluoride, 2-Fluorobenzotrifluoride, 1-Fluoro-2-(trifluoromethyl)benzene, 219363_ALDRICH, Benzene, 1-fluoro-2-(trifluoromethyl)-, JRD-0087, NSC10314, EINECS 206-880-4, NSC 10314, o,alpha,alpha,alpha-Tetrafluorotoluene, alpha,alpha,alpha,2-Tetrafluorotoluene, alpha,alpha,alpha,Ar-Tetrafluorotoluene, 1-FLUORO-2-TRIFLUOROMETHYLBENZENE, ST5406530, TL8002835, o,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.,o-tetrafluoro-, Toluene, o,.alpha.,.alpha.,.alpha.-tetrafluoro-, InChI=1/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4

Molecular Formula:	C₇H₄F₄	Molecular Weight:	164.100273 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BGVGHYOIWIALFF-UHFFFAOYSA-N

• 2,3-Dichloro Aniline

IUPAC Name: 2,3-dichloroaniline | CAS Registry Number: 608-27-5
Synonyms: 2,3-DICHLOROANILINE, Dichloroanilines, Aniline, 2,3-dichloro-, Benzenamine, 2,3-dichloro-, 2,3-Dichlorobenzenamine, 2,3-Dichloranilin, DICHLOROANILINE, Ar,ar-dichlorobenzenamine, Benzenamine, ar,ar-dichloro-, D55407_ALDRICH, HSDB 5433, 36701_RIEDEL, 35160_FLUKA, CHEBI:46636, EINECS 210-157-9, NSC 60683, Aniline, 2,3-dichloro- (7CI,8CI), NSC60683, UN1590, ZINC00388504

Molecular Formula:	C₆H₅Cl₂N	Molecular Weight:	162.016600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

• 2,6-DichloroPurine

IUPAC Name: 2,6-dichloro-7H-purine | CAS Registry Number: 5451-40-1
Synonyms: 2,6-Dichloropurine, 2, 6-Dichloropurine, Purine, 2,6-dichloro-, 2,6-dichloro-9H-purine, 2,6-Dichloro-1H-purine, 1H-Purine, 2,6-dichloro-, 2,6-DICHLORO PURINE, D73103_ALDRICH, 9H-purine, 2,6-dichloro-, 36390_FLUKA, AIDS021810, BM032, AIDS-021810, NSC18395, EINECS 226-681-6, NSC 18395, SBB000271, ZINC01769175, 1H-Purine, 2,6-dichloro- (9CI), KS-1014

Molecular Formula:	C₅H₂Cl₂N₄	Molecular Weight:	189.002180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RMFWVOLULURGJI-UHFFFAOYSA-N

• 2,6-Dichloro Quinoxaline

IUPAC Name: 2,6-dichloroquinoxaline | CAS Registry Number: 18671-97-1
Synonyms: 2,6-Dichloroquinoxaline, Quinoxaline, 2,6-dichloro-, 636894_ALDRICH, ZINC00046538, CID87748, ST5412101, AE-848/32002050

Molecular Formula:	C₈H₄Cl₂N₂	Molecular Weight:	199.036760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WFOKVKYNVKVWFK-UHFFFAOYSA-N

• 4-bromo-1h-indole-6-carbonitrile

IUPAC Name: 4-bromo-1H-indole-6-carbonitrile | CAS Registry Number: 374633-29-1
Synonyms: 4-Bromo-6-cyanoindole, 4-Bromo-1H-indole-6-carbonitrile, SureCN994181, CTK4H8212, MolPort-005-932-982, 1H-Indole-6-carbonitrile,4-bromo-, ANW-57635, ZINC02384057, AKOS015960570, AB13577, AG-F-31644, AC-11492, AK-59573, QC-10529, 4-Bromo-1H-indole-6-carbonitrile;4-bromo-1H-indole-6-carbonitrile;1H-indole-6-carbonitrile, 4-bromo-;4-Bromo-1H-indole-6-carbonitrile;4-Bromo-6-cyanoindole;

Molecular Formula:	C₉H₅BrN₂	Molecular Weight:	221.053400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LIXMZLHXLYDHRO-UHFFFAOYSA-N

• 1,2,3,6-Tetrahydro-1-Methyl-4-(2,4,6-Trimethoxyphenyl)-Pyridine

IUPAC Name: 1-methyl-4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine | CAS Registry Number: 113225-07-3
Synonyms: 1-METHYL-4-(2,4,6-TRIMETHOXYPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE, Pyridine,1,2,3,6-tetrahydro-1-methyl-4-(2,4,6-trimethoxyphenyl)-, ACMC-1BT2G, SureCN298857, CTK4A8156, AKOS007930095, AG-D-32908, AK-55592, 1,2,3,6-Tetrahydro-1-methyl-4-(2,4,6-trimethoxyphenyl)-pyridine

Molecular Formula:	C₁₅H₂₁NO₃	Molecular Weight:	263.332140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: VWRZNLHDQXFHDR-UHFFFAOYSA-N

• 1-Methyl-3-Nitrophthalate

IUPAC Name: 2-methoxycarbonyl-6-nitrobenzoic acid | CAS Registry Number: 21606-04-2
Synonyms: 2-(methoxycarbonyl)-6-nitrobenzoic acid, 1-Methyl-3-nitrophthalate, 3-nitro-2-Carboxyl methyl benzoate, ST50170924, 1,2-Benzenedicarboxylicacid, 3-nitro-1-methylester, AC1NACBV, SureCN2598194, BEN007, Jsp004386, CTK8C0052, Methyl 2-carboxy-3-nitrobenzoate, methyl 3-nitro-2-carboxylbenzoate, MolPort-000-519-133, ANW-63954, RW3124, 2-methoxycarbonyl-6-nitrobenzoic acid, 3-Nitro-phthalic acid 1-Methyl ester, AKOS002268896, 2-Nitro-6-methoxycarbonyl benzoic acid, AC-4830

Molecular Formula:	C₉H₇NO₆	Molecular Weight:	225.154980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: DJMQLZPEBHSABD-UHFFFAOYSA-N

• 3,5-Dichloro-4-fluoronitrobenzene

IUPAC Name: 1,3-dichloro-2-fluoro-5-nitrobenzene | CAS Registry Number: 3107-19-5
Synonyms: ZINC02504546, CID76554, EINECS 221-466-3, 1,3-Dichloro-2-fluoro-5-nitrobenzene, SL-00584, TL80074054

Molecular Formula:	C₆H₂Cl₂FNO₂	Molecular Weight:	209.989983 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: VMAATSFMXSMKPG-UHFFFAOYSA-N

• 4-Amino-2,5-Dimethoxy-N-Methyl-BenzeneSulfonamide

IUPAC Name: 4-amino-2,5-dimethoxy-N-methylbenzenesulfonamide | CAS Registry Number: 49701-24-8
Synonyms: EINECS 256-435-3, TL8003303, 4-Amino-2,5-dimethoxy-N-methylbenzenesulphonamide, N-Methyl-4-amino-2,5-dimethoxybenzenesulfonamide, Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-methyl-

Molecular Formula:	C₉H₁₄N₂O₄S	Molecular Weight:	246.283460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CISVVDNATRQDNU-UHFFFAOYSA-N

• 2-Amino-4,6-dihydroxy-5-methylpyrimidine

IUPAC Name: 2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one | CAS Registry Number: 55477-35-5
Synonyms: Oprea1_306579, NSC60209, CID81111, EINECS 229-597-8, EINECS 259-660-5, SBB005534, ZINC05123840, 2-Amino-5-methyl-1H,5H-pyrimidine-4,6-dione, 2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-methyl-, 6627-65-2

Molecular Formula:	C₅H₇N₃O₂	Molecular Weight:	141.127980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: OTFOORSARCXWKK-UHFFFAOYSA-N

• 2-Methoxy-5-nitrophenol

IUPAC Name: 2-methoxy-5-nitrophenol | CAS Registry Number: 636-93-1
Synonyms: 5-Nitroguaiacol, ghl.PD_Mitscher_leg0.1131, 329274_ALDRICH, 3-Hydroxy-4-methoxynitrobenzene, 65136_FLUKA, EINECS 211-269-0, ZINC00295034, ST5408114, TL8004458, InChI=1/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H

Molecular Formula:	C₇H₇NO₄	Molecular Weight:	169.134780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: KXKCTSZYNCDFFG-UHFFFAOYSA-N

• 2-Chloro-5-trichloromethylpyridine

IUPAC Name: 2-chloro-5-(trichloromethyl)pyridine | CAS Registry Number: 69045-78-9
Synonyms: ZINC00226188, 2-chloro-5-(trichloromethyl)pyridine, Pyridine, 2-chloro-5-(trichloromethyl)-, 2-CHLORO-5-TRICHLOROMETHYLPYRIDINE, ST5036736, EU-0033517

Molecular Formula:	C₆H₃Cl₄N	Molecular Weight:	230.906720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: VLJIVLGVKMTBOD-UHFFFAOYSA-N

• 2-Amino-4-(1,1-dimethylbutyl)-6-nitrophenol

IUPAC Name: 2-amino-4-(2-methylbutan-2-yl)-6-nitrophenol | CAS Registry Number: 83488-02-2
Synonyms: EINECS 280-465-6, CID5743751, 2-Amino-6-nitro-4-(tert-pentyl)phenol

Molecular Formula:	C₁₁H₁₆N₂O₃	Molecular Weight:	224.256340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WLJLENRIPLYJSZ-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:	C₃H₁₀N₂O	Molecular Weight:	90.124300 [g/mol]
H-Bond Donor:	3	H-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:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XHYVBIXKORFHFM-UHFFFAOYSA-N

• 4-Hydroxycyclohexanecarboxylic acid

IUPAC Name: 4-hydroxycyclohexane-1-carboxylic acid | CAS Registry Number: 17419-81-7
Synonyms: 4-Hchc, CHEBI:16817, trans-4-Hydroxycyclohexanecarboxylate, SBB007787, FR-0335, trans-4-hydroxycyclohexanecarboxylic acid, C04404, Cyclohexanecarboxylic acid, 4-hydroxy-, trans-, 3685-26-5

Molecular Formula:	C₇H₁₂O₃	Molecular Weight:	144.168380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HCFRWBBJISAZNK-UHFFFAOYSA-N

• 2'-Deoxy-5-FluoroUridine (FUDR)

IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 50-91-9
Synonyms: floxuridine, Floxuridin, Fluorodeoxyuridine, FdUrd, Deoxyfluorouridine, FUDR, 5-Fluorodeoxyuridine, 5 Fluorodeoxyuridine, 2'-Deoxy-5-fluorouridine, 5-FdUrd, Fluoruridine deoxyribose, 5-Fluoro-dUrd, 5FdU, FDUR, Floxuridinum [INN-Latin], 5-Fluoro-2'-deoxyuridine, Floxiridina [INN-Spanish], 5-Fluoro-2-desoxyuridine, Floxuridine [USAN:INN], 5-FUDR

Molecular Formula:	C₉H₁₁FN₂O₅	Molecular Weight:	246.192443 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N

• 2-Amino-5-Bromo Pyridine

IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula:	C₅H₅BrN₂	Molecular Weight:	173.010600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 2,4,5-Trifluoro Benzonitrile

IUPAC Name: 2,4,5-trifluorobenzonitrile | CAS Registry Number: 98349-22-5
Synonyms: 2,4,5-Trifluorobenzonitrile, 328200_ALDRICH, JRD-0620, ZINC00389514, ST5306865, TL8006041

Molecular Formula:	C₇H₂F₃N	Molecular Weight:	157.092690 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DLKNOGQOOZFICZ-UHFFFAOYSA-N

• 5-Fluoroisatin

IUPAC Name: 5-fluoro-1H-indole-2,3-dione | CAS Registry Number: 443-69-6
Synonyms: Isatin-based compound, 32, 5-Fluoro-1H-indole-2,3-dione, 366978_ALDRICH, ZERO/000347, AIDS163137, AIDS-163137, ALBB-002980, NSC39161, ZINC01671161, TL8003090, F-5600

Molecular Formula:	C₈H₄FNO₂	Molecular Weight:	165.121263 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GKODDAXOSGGARJ-UHFFFAOYSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine

IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula:	C₁₂H₁₆N₂O₂	Molecular Weight:	220.267640 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 2,3,4-Trifluoroaniline

IUPAC Name: 2,3,4-trifluoroaniline | CAS Registry Number: 3862-73-5
Synonyms: 2,3,4-Trifluoranilin, Aniline, 2,3,4-trifluoro-, Benzenamine, 2,3,4-trifluoro-, 304352_ALDRICH, 2,3,4-Trifluoranilin [Danish], 2,3,4-Trifluoranilin [German], 2,3,4-Trifluoraniline [Dutch], 2,3,4-Trifluoroaniline [French], 2,3,4-Trifluoroanilina [Italian], 2,3,4-Trifluoroanilina [Spanish], JRD-0607, BRN 3245609, SBB012347, ZINC00164526, 2,3,4-Trifluoroanilina [Portuguese], LS-28441, EE4071709, TL8002814, 4-12-00-01114 (Beilstein Handbook Reference), 3S211006

Molecular Formula:	C₆H₄F₃N	Molecular Weight:	147.097870 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WRDGNXCXTDDYBZ-UHFFFAOYSA-N

• 2,3,5-Trimethylpyridine

IUPAC Name: 2,3,5-trimethylpyridine | CAS Registry Number: 695-98-7
Synonyms: 2,3,5-COLLIDINE, Pyridine, 2,3,5-trimethyl-, 513261_ALDRICH, ZINC02031394, CID12759, EINECS 211-786-1, TL8004882

Molecular Formula:	C₈H₁₁N	Molecular Weight:	121.179640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GFYHSKONPJXCDE-UHFFFAOYSA-N

• 2,4-Difluorobromobenzene

IUPAC Name: 1-bromo-2,4-difluorobenzene | CAS Registry Number: 348-57-2
Synonyms: 1-Bromo-2,4-difluorobenzene, Benzene, 1-bromo-2,4-difluoro-, 1-Bromo-2,4-difluoro-benzene, 263443_ALDRICH, CID67674, JRD-0065, EINECS 206-479-4, TL806164, ST5405337, InChI=1/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3

Molecular Formula:	C₆H₃BrF₂	Molecular Weight:	192.988826 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MGHBDQZXPCTTIH-UHFFFAOYSA-N