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Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 3-Chloro-1-(N,N-Dimethyl)propylamine
IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine | CAS Registry Number: 109-54-6
Synonyms: Dimethylaminopropyl chloride, 3-Chloropropyl(dimethyl)amine, 5407-04-5 (Hydrochloride), CHEBI:587789, MolPort-002-051-969, BB_SC-5456, CID66960, EINECS 203-679-3, STK802325, 3-Chloro-N,N-dimethyl-1-propanamine, 3-chloro-N,N-dimethylpropan-1-amine, N-(3-Chloropropyl)-N,N-dimethylamine, 3-Chloro-1-(N,N-dimethyl)propanamine, 1-Propanamine, 3-chloro-N,N-dimethyl-, LS-194314, TL80090565

Molecular Formula: C5H12ClNMolecular Weight: 121.608480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NYYRRBOMNHUCLB-UHFFFAOYSA-N

• 1,1-Bis(Methylthio)-2-Nitroethylene
IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene | CAS Registry Number: 13623-94-4
Synonyms: Nitroketene dimethyl mercaptal, 1,1-Bis(methylthio)-2-nitroethylene, 279706_ALDRICH, CID83623, EINECS 237-108-4, NSC241513, ZINC01763921, 1-Nitro-2,2-bis(methylthio)ethylene, BBV-181843, NSC 241513, Ethene, 1,1-bis(methylthio)-2-nitro-, I03-0090

Molecular Formula: C4H7NO2S2Molecular Weight: 165.233880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NXGHEDHQXXXTTP-UHFFFAOYSA-N

• 3-Noradamantanecarboxylic Acid
Synonyms: ZINC04282762, ZINC04282753, CID11887833

Molecular Formula: C10H13O2-Molecular Weight: 165.209020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXUUYFUQAGICCD-NLZKFAMNSA-M

• 4,6-Dihydroxy-2-methylmercaptopyrimide
IUPAC Name: 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one | CAS Registry Number: 1979-98-2
Synonyms: Maybridge4_004721, D114804_ALDRICH, 2-Methylthiopyrimidine-4,6-diol, 2-Methylthio-4,6-pyrimidinedione, NSC44557, EINECS 217-839-5, ZINC00155003, ZINC01995082, SDCCGMLS-0064589.P001, 4,6-Dihydroxy-2-(methylthio)pyrimidine, 4,6-Dihydroxy-2-methylmercaptopyrimidine, NCGC00175598-01, 4,6-Dihydroxy-2-(methylmercapto)pyrimidine, ST5101852, 4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-, 4,6-DIHYDROXY-2-METHYL-MERCAPTOPYRIMIDINE

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AEXCUJUYEZIWJV-UHFFFAOYSA-N

• 1-Adamantanemethylamine
IUPAC Name: 1-adamantylmethanamine | CAS Registry Number: 17768-41-1
Synonyms: 1-(Aminomethyl)adamantane, 1-(1-adamantyl)methanamine, Oprea1_307760, 180378_ALDRICH, IFLab1_006466, STOCK1S-59919, ZERO/001761, AIDS211746, AIDS-211746, ALBB-001490, EINECS 241-752-1, NSC285231, Tricyclo[3.3.1.1]decane-1-methanamine, Tricyclo(3.3.1.13,7)dec-1-ylmethylamine, Tricyclo[3.3.1.1(3,7)-]decane-1-methanamine

Molecular Formula: C11H19NMolecular Weight: 165.275260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N

• 2-Amino-2-methylpropane nitrile
IUPAC Name: 2-amino-2-methylpropanenitrile | CAS Registry Number: 19355-69-2
Synonyms: 2-Aminoisobutyronitrile, 2-Cyanoisopropylamine, Vazo 64AN, Aminodimethylacetonitrile, alpha-Aminoisobutyronitrile, 2-Amino-2-methylpropanenitrile, 2-Amino-2-methylpropiononitrile, .alpha.-Aminoisobutyronitrile, Propanenitrile, 2-amino-2-methyl-, Propionitrile, 2-amino-2-methyl-, EINECS 242-989-3, LS-120848, ST5101636, Propionitrile, 2-amino-2-methyl- (6CI,7CI,8CI)

Molecular Formula: C4H8N2Molecular Weight: 84.119720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JQULXIOYDDCNGR-UHFFFAOYSA-N

• 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]cephalosphoranic acid
IUPAC Name: (7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 30246-33-4
Synonyms: EINECS 250-099-1, 7-AMINO-3-((5-METHYL-1,3,4-THIAZOL-2-YL)-THIOMETHYL)-CEPH-3-EM-4-CARBOXYLIC ACID, (6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Molecular Formula: C11H12N4O3S3Molecular Weight: 344.432980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HJSGHKMSDOLGJJ-VJSCVCEBSA-N

• 3-Methyl-3-Pentanol
IUPAC Name: 3-methylpentan-3-ol | CAS Registry Number: 77-74-7
Synonyms: 3-Methylpentan-3-ol, 3-METHYL-3-PENTANOL, 3-Pentanol, 3-methyl-, Methyldiethylcarbinol, Diethyl methyl carbinol, Methyldiaethylcarbinol [German], M66900_ALDRICH, W508209_ALDRICH, 3-Methyl-pentanol-(3) [German], 68420_FLUKA, EINECS 201-053-4, CID6493, NSC 75837, NSC75837, BRN 1731456, LS-101903, 4-01-00-01723 (Beilstein Handbook Reference)

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FRDAATYAJDYRNW-UHFFFAOYSA-N

• 1-Acetyladamantane
IUPAC Name: 1-(1-adamantyl)ethanone | CAS Registry Number: 1660-04-4
Synonyms: 1-Adamantyl methyl ketone, Ambap2137, 148237_ALDRICH, EINECS 216-761-9, SBB008487, ZINC03861155, FR-2164, Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-, Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N

• 1-Bromo-2-Chloroethane
IUPAC Name: 1-bromo-2-chloroethane | CAS Registry Number: 107-04-0
Synonyms: Ethylene chlorobromide, s-Chlorobromoethane, 2-Bromoethyl chloride, 2-Chloroethyl bromide, 1-Chloro-2-bromoethane, 2-Bromo-1-chloroethane, sym-Chlorobromoethane, Ethane, 1-bromo-2-chloro-, 1-BROMO-2-CHLOROETHANE, beta-Chloroethyl bromide, 1,2-Bromochloroethane, 1,2-Chlorobromoethane, Caswell No. 436B, Ethylene bromochloride, .beta.-Chloroethyl bromide, CCRIS 816, WLN: G2E, HSDB 6121, 232750_ALDRICH, 16621_FLUKA

Molecular Formula: C2H4BrClMolecular Weight: 143.410160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N

• 2-Amino-5-nitrobenzophenone
IUPAC Name: (2-amino-5-nitrophenyl)-phenylmethanone | CAS Registry Number: 1775-95-7
Synonyms: Oprea1_660099, 211737_ALDRICH, EINECS 217-207-9, ZINC03861498, (2-Amino-5-nitrophenyl)phenylmethanone, CID15681, BRN 0748830, SBB000821, METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-, (2-amino-5-nitrophenyl)(phenyl)methanone, LS-91113, ST5308434, 4-14-00-00246 (Beilstein Handbook Reference)

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N

• 3-Amino-5-methylisoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-amine | CAS Registry Number: 1072-67-9
Synonyms: 5-Methyl-3-isoxazolamine, 3-Isoxazolamine, 5-methyl-, 3-Methyl-5-aminoisoxazole, 5-Methyl-3-aminoisoxazole, Isoxazole, 3-amino-5-methyl-, 5-Methylisoxazol-3-ylamine, 5-methylisoxazol-3-amine, 232270_ALDRICH, EINECS 214-013-6, NSC159134, NSC 159134, 3-AMINO-5-METHYL ISOXAZOLE, CID66172, SBB005553, ZINC01610351, AI3-62721, Isoxazole, 3-amino-5-methyl- (8CI), SDCCGMLS-0066220.P001, LS-195291, InChI=1/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N

• 4-Aminophenylbutyric Acid
IUPAC Name: 4-(4-aminophenyl)butanoic acid | CAS Registry Number: 15118-60-2
Synonyms: 335339_ALDRICH, 4-(4-Aminophenyl)butyric acid, NSC27531, 4-(P-AMINOPHENYL)BUTYRIC ACID

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RBHLFWNKEWLHBP-UHFFFAOYSA-N

• 4-Chlorocinnamic acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1615-02-7
Synonyms: p-Chlorocinnamic acid, 4-CHLOROCINNAMIC ACID, Cinnamic acid, p-chloro-, (E)-p-Chlorocinnamic acid, trans-p-Chlorocinnamic acid, 3-(p-Chlorophenyl)acrylic acid, WLN: QV1U1R DG, CCRIS 3779, p-Chloro-trans-cinnamic acid, C31600_ALDRICH, CINNAMIC ACID,4-CHLORO, ARONIS014007, Cinnamic acid, p-chloro-, trans-, 3-(4-chlorophenyl)acrylic acid, NSC 1509, NSC 2756, EINECS 216-564-8, NSC1509, NSC2756, 2-Propenoic acid, 3-(4-chlorophenyl)-

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GXLIFJYFGMHYDY-ZZXKWVIFSA-N

• 6-Benzylaminopurine
IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula: C12H11N5Molecular Weight: 225.249240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 4-Aminobenzamidine Dihydrochloride
IUPAC Name: 4-aminobenzenecarboximidamide dihydrochloride | CAS Registry Number: 2498-50-2
Synonyms: Ambap7531, 4-Aminobenzamidine dihydrochloride, p-Aminobenzamidine dihydrochloride, 857661_ALDRICH, 06880_FLUKA, EINECS 219-692-2, Benzamidine, p-amino-, dihydrochloride, 4-Aminobenzenecarboximidamide dihydrochloride, NCGC00093580-01, LS-27460, Benzenecarboximidamide, 4-amino-, dihydrochloride, EU-0100070, C11628

Molecular Formula: C7H11Cl2N3Molecular Weight: 208.088340 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 3

InChIKey: GHEHNICLPWTXJC-UHFFFAOYSA-N

• 4-Aminophenol
IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

• 1 4-Cyclohexanediol
IUPAC Name: cyclohexane-1,4-diol | CAS Registry Number: 556-48-9
Synonyms: Quinitol, 1,4-CYCLOHEXANEDIOL, Hexahydrohydroquinone, trans-1,4-Cyclohexanediol, cis-1,4-Cyclohexanediol, 1,4-Cyclohexanediol, trans-, 1,4-Cyclohexanediol, cis-, Cyclohexane-1,4-diol, trans-1,4-Dihydroxycyclohexane, C101206_ALDRICH, 29040_FLUKA, NSC5651, NSC5730, AIDS017552, AIDS-017552, CID11162, NSC 5730, EINECS 209-126-2, EINECS 213-240-8, 1,4-CYCLOHEXANEDIOL (Cis-trans)

Molecular Formula: C6H12O2Molecular Weight: 116.158280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VKONPUDBRVKQLM-UHFFFAOYSA-N

• 1-Bromododecane
IUPAC Name: 1-bromododecane | CAS Registry Number: 143-15-7
Synonyms: Dodecyl bromide, n-Dodecyl bromide, Lauryl bromide, Dodecane, 1-bromo-, 1-BROMO-N-DODECANE, B65551_ALDRICH, 16970_FLUKA, 17743_FLUKA, CID8919, NSC6786, NSC 6786, EINECS 205-587-9, AI3-02166

Molecular Formula: C12H25BrMolecular Weight: 249.230900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PBLNBZIONSLZBU-UHFFFAOYSA-N

• 1-Bromopentane
IUPAC Name: 1-bromopentane | CAS Registry Number: 110-53-2
Synonyms: n-Amyl bromide, Pentyl bromide, Amyl bromide, Pentane, 1-bromo-, 1-BROMOPENTANE, n-Pentyl bromide, 1-Pentyl bromide, 117811_ALDRICH, NSC 7895, 17920_FLUKA, EINECS 203-776-0, NSC7895, AI3-17813, LS-101546, InChI=1/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H, 5BR

Molecular Formula: C5H11BrMolecular Weight: 151.044840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YZWKKMVJZFACSU-UHFFFAOYSA-N

• 2-Methoxy Propylene
IUPAC Name: 2-methylprop-1-ene | CAS Registry Number: 115-11-7
Synonyms: Isobutene, Methylpropene, 2-Methylpropene, gamma-Butylene, ISOBUTYLENE, 2-Methylpropylene, Propene, 2-methyl-, Isobutene trimer, 1-Propene, 2-methyl-, 2-Methyl-1-propene, Isopropylidenemethylene, sym-Dimethylethylene, 1,1-Dimethylethylene, Poly(isobutylene), 1,1-Dimethylethene, 2-methylprop-1-ene, unsym. dimethylethylene, POLYISOBUTYLENE, Hydrocarbons, C2-4, isobutylene, various grades

Molecular Formula: C4H8Molecular Weight: 56.106320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N

• 3,4-Dichlorophenyl Isocyanate
IUPAC Name: 1,2-dichloro-4-isocyanatobenzene | CAS Registry Number: 102-36-3
Synonyms: 3,4-DICHLOROPHENYL ISOCYANATE, Benzene, 1,2-dichloro-4-isocyanato-, 1,2-Dichloro-4-isocyanatobenzene, HSDB 5348, 245607_ALDRICH, 3,4-Dichlorfenylisokyanat [Czech], EINECS 203-026-2, NSC 76605, Isocyanic acid, 3,4-dichlorophenyl ester, NSC76605, BRN 0608325, STK301773, ZINC01707972, AI3-28284, NCGC00090976-01, LS-84442, 3-12-00-01405 (Beilstein Handbook Reference)

Molecular Formula: C7H3Cl2NOMolecular Weight: 188.010820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N

• 4-Chloro Methyl Benzoic Acid
IUPAC Name: 4-(chloromethyl)benzoic acid | CAS Registry Number: 1642-81-5
Synonyms: 4-(Chloromethyl)benzoic acid, C8H7ClO2, alpha-Chloro-p-toluic acid, .alpha.-Chloro-p-toluylic acid, alpha-Chloro-p-toluylic acid, Benzoic acid, 4-(chloromethyl)-, 270792_ALDRICH, EINECS 216-697-1, NSC123935, ST5214159, InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OITNBJHJJGMFBN-UHFFFAOYSA-N

• 4-Chlorobenzhydrylchloride
IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene | CAS Registry Number: 134-83-8
Synonyms: 4-Chlorobenzhydryl chloride, p-Chlorobenzhydryl chloride, 103314_ALDRICH, Methane, chloro(p-chlorophenyl)phenyl-, Chloro(p-chlorophenyl)phenylmethane, Chloro(4-chlorophenyl)phenylmethane, NSC49126, Benzene, 1-chloro-4-(chlorophenylmethyl)-

Molecular Formula: C13H10Cl2Molecular Weight: 237.124500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N

• 3,5-Dichloro-4-(1,1,2,2-Tetrafluoroethoxy)aniline
IUPAC Name: 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline | CAS Registry Number: 104147-32-2
Synonyms: 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline, Benzenamine,3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)-, AC1NUYID, ACMC-1CFKF, Jsp000414, CTK4A2774, ZINC31176436, AKOS005064131, AG-D-15988, AK123570, S675, KB-179489, I14-8664, 3,5-Dichloro-4-(1,1,2,2-tetrafluoroethoxy)aniline;benzenamine, 3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)-;

Molecular Formula: C8H5Cl2F4NOMolecular Weight: 278.031013 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JIPDPVQPKLVDIU-UHFFFAOYSA-N

• 2,4,5-Trichlorobenzenesulfonyl Chloride
IUPAC Name: 2,4,5-trichlorobenzenesulfonyl chloride | CAS Registry Number: 15945-07-0
Synonyms: 680125_ALDRICH, NSC26958, 2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE, Benzenesulfonyl chloride, 2,4,5-trichloro-, CID27575, EINECS 240-079-0, NSC 26958, BBV-036641, 2,4,5-Trichlorobenzenesulphonyl chloride, 2,4,5-TRICHLORO BENZENE SULFONYL CHLORIDE

Molecular Formula: C6H2Cl4O2SMolecular Weight: 279.955880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N

• 2-Ethoxy-1-Naphthaldehyde
IUPAC Name: 2-ethoxynaphthalene-1-carbaldehyde | CAS Registry Number: 19523-57-0
Synonyms: 2-Ethoxy-1-naphthaldehyde, NCIOpen2_000806, 1-Naphthaldehyde, 2-ethoxy-, 2-Ethoxynaphthalene-1-carbaldehyde, NSC74560, AIDS017925, 1-Naphthalenecarboxaldehyde, 2-ethoxy-, AIDS-017925, CID88099, EINECS 243-126-3, STK072389, ZINC00149185

Molecular Formula: C13H12O2Molecular Weight: 200.233180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IMNKQTWVJHODOS-UHFFFAOYSA-N

• 2,6-Dimethoxybenzoic acid
IUPAC Name: 2,6-dimethoxybenzoic acid | CAS Registry Number: 1466-76-8
Synonyms: 2,6-DIMETHOXYBENZOIC ACID, Benzoic acid, 2,6-dimethoxy-, D131601_ALDRICH, EINECS 215-985-4, NSC 28591, AIDS018090, AIDS-018090, NSC28591, LS-37121, ST5213894, InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MBIZFBDREVRUHY-UHFFFAOYSA-N

• 2-Amino-4,6-Dimethoxy-1,3,5-Triazine
IUPAC Name: 4,6-dimethoxy-1,3,5-triazin-2-amine | CAS Registry Number: 16370-63-1
Synonyms: Maybridge1_006177, NSC100284, CID27840, ZINC00967443, 4,6-dimethoxy-1,3,5-triazin-2-amine, RF 03347, 2-AMINO-4,6-DIMETHOXY-S-TRIAZINE, AG-664/25040004, SR-01000632706-1

Molecular Formula: C5H8N4O2Molecular Weight: 156.142620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N

• 3-Amino-5-Mercapto-1,2,4-Triazole
IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 16691-43-3
Synonyms: Iminothiourazole, 3-Imino-5-thiourazole, s-Triazole-3-thiol, 5-amino-, 3-Amino-5-mercapto-1,2,4-triazole, 3-Amino-1,2,4-triazole-5-thiol, ENT 61388, 140260_ALDRICH, EINECS 240-735-6, TOS-BB-1188, NSC 145149, 1,2,4-Triazolidine-3-thione, 5-imino-, NSC34807, 1,2-Triazolidine-3-thione, 5-imino-, NSC145149, ZINC03861092, ZINC04289077, ZINC04522749, AI3-61388, CID2723869, 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WZUUZPAYWFIBDF-UHFFFAOYSA-N

• 4-Methoxybenzaldehyde
IUPAC Name: 4-methoxybenzaldehyde | CAS Registry Number: 123-11-5
Synonyms: Anisaldehyde, P-ANISALDEHYDE, Crategine, Aubepine, Obepin, Anisic aldehyde, p-Formylanisole, 4-Anisaldehyde, p-Anisic aldehyde, Benzaldehyde, 4-methoxy-, Methoxybenzaldehyde, p-Methoxybenzaldehyde, Formylanisole, p-, Aub+ pine, Benzaldehyde, methoxy-, Anisaldehyde solution, Caswell No. 051E, nchembio.150-comp52, SRA1_SIAL, CCRIS 821

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N

• 6-Hydroxymelatonin
IUPAC Name: N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide | CAS Registry Number: 2208-41-5
Synonyms: 6-HYDROXYMELATONIN, Lopac-H-0627, CCRIS 3473, Lopac0_000612, MLS000860057, H0627_SIGMA, BRN 0483231, PDSP1_001787, PDSP1_001812, PDSP2_001770, PDSP2_001795, ZINC00057344, LS-9709, NCGC00015495-01, NCGC00093987-01, NCGC00093987-02, SMR000326915, EU-0100612, C05643, H-6490

Molecular Formula: C13H16N2O3Molecular Weight: 248.277740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OMYMRCXOJJZYKE-UHFFFAOYSA-N

• 5-Acetamidomethyl-4-Amino-2-Methyl Pyrimidine
IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide | CAS Registry Number: 23676-63-3
Synonyms: 5-Acetamidomethyl-4-Amino-2-Methyl pyrimidine, N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide, N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]acetamide, N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide, AC1LBOUK, 5-(Acetylaminomethyl)-4-amino-2-methylpyrimidine, SureCN11131427, CTK4F2024, AKOS006331872, AG-E-69416, QC-5146, AK111495, KB-173699, FT-0083535, 2-methyl-4-amino-5-acetylaminomethylpyrimidine, A816841, 2-METHYL-4-AMINO-5-ACETAMIDOMETHYL-PYRIMIDINE, Acetamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-, N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]ethanamide

Molecular Formula: C8H12N4OMolecular Weight: 180.207080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SXZFUSAWDLRCLQ-UHFFFAOYSA-N

• 1-Adamantanecarbonyl chloride
IUPAC Name: adamantane-1-carbonyl chloride | CAS Registry Number: 2094-72-6
Synonyms: Adamantoyl chloride, 1-Adamantoyl chloride, Adamantyl chloroformate, Ambap2128, Adamantane-1-carbonyl chloride, Adamantanecarbonyl chloride, 1-Adamantylcarbonyl chloride, 1-Adamantanoic acid chloride, 1-Adamantyl carbonyl chloride, 117722_ALDRICH, 1-Adamantanecarboxlic acid chloride, BB_SC-2576, 1-ADMANTANECARBONYL CHLORIDE, 1-Adamantanecarboxylic acid chloride, EINECS 218-252-7, NSC179368, NSC249324, ZINC01730095, 1-ADAMANTANE CARBONYL CHLORIDE, Adamantane-1-carboxylic acid chloride

Molecular Formula: C11H15ClOMolecular Weight: 198.689200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MIBQYWIOHFTKHD-UHFFFAOYSA-N

• 7-TMCA
IUPAC Name: 7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 24209-38-9
Synonyms: CID91136, EINECS 246-078-1, BAS 06290984, ST5303547, TL8001992, (6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

Molecular Formula: C10H12N6O3S2Molecular Weight: 328.370680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XUTQHTOXGKVJPN-UHFFFAOYSA-N

• 1-Bromo-3,5-dimethyladamantane
IUPAC Name: 1-bromo-3,5-dimethyladamantane | CAS Registry Number: 941-37-7
Synonyms: NCIOpen2_006758, 187844_ALDRICH, EINECS 213-378-9, NSC102293, ST5410687, 1-Bromo-3,5-dimethyltricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-

Molecular Formula: C12H19BrMolecular Weight: 243.183260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QUCXLVDIVQWYJR-UHFFFAOYSA-N

• 4 -Amino-2-chloro-5-fluoropyrimidine
IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine | CAS Registry Number: 155-10-2
Synonyms: NCIOpen2_000951, A8406_SIGMA, NSC78716, 4-Amino-2-chloro-5-fluoropyrimidine, CID254372

Molecular Formula: C4H3ClFN3Molecular Weight: 147.538123 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SLQAJWTZUXJPNY-UHFFFAOYSA-N

• 3-Aminopyrrolidine dihydrochloride
IUPAC Name: [(3R)-pyrrolidin-1-ium-3-yl]azanium | CAS Registry Number: 103831-11-4
Synonyms: ZINC04682891

Molecular Formula: C4H12N2+2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: NGXSWUFDCSEIOO-SCSAIBSYSA-P

• 2,5-Dihydroxybenzaldehyde
IUPAC Name: 2,5-dihydroxybenzaldehyde | CAS Registry Number: 1194-98-5
Synonyms: Gentisaldehyde, Gentisate aldehyde, Ambap5842, Benzaldehyde, 2,5-dihydroxy-, 2,5-DHBAOP, NCIOpen2_000629, D108200_ALDRICH, CHEBI:28508, 2,5-Dihydroxybenzaldehyde polymer, AIDS220859, AIDS220866, AIDS-220859, AIDS-220866, CID70949, NSC72387, EINECS 214-789-6, NSC 72387, ZINC00895809, C05585, InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N

• 4-Benzoylbiphenyl
IUPAC Name: phenyl-(4-phenylphenyl)methanone | CAS Registry Number: 2128-93-0
Synonyms: 4-Phenylbenzophenone, p-Benzoylbiphenyl, p-Phenylbenzophenone, Benzophenone, 4-phenyl-, Trigonal 12, Eusolex 3490, 4-Diphenyl phenyl ketone, 4-Diphenylphenyl ketone, p-Biphenylyl phenyl ketone, Phenyl p-biphenylyl ketone, 4-Biphenylyl phenyl ketone, Maybridge4_000539, NCIOpen2_001988, B12601_ALDRICH, EINECS 218-345-2, NSC 55283, NSC 97365, Methanone, [1,1'-biphenyl]-4-ylphenyl-, NSC55283, NSC97365

Molecular Formula: C19H14OMolecular Weight: 258.313860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,6-Dimethyl Piperazine
IUPAC Name: 2,6-dimethylpiperazine | CAS Registry Number: 108-49-6
Synonyms: 2,6-Dimethylpiperazine, Piperazine, 2,6-dimethyl-, D179809_ALDRICH, Piperazine, 2,6-dimethyl-, cis-, NSC49197, EINECS 203-588-9, NSC 49197, TL8000282, InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IFNWESYYDINUHV-UHFFFAOYSA-N

• 2-Acetyl Pyridine
IUPAC Name: 1-pyridin-2-ylethanone | CAS Registry Number: 1122-62-9
Synonyms: 2-ACETYLPYRIDINE, Acetylpyridine, 2-Acetopyridine, Ketone, methyl 2-pyridyl, Methyl 2-pyridyl ketone, 2-Pyridyl methyl ketone, Ethanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)ethanone, 1-pyridin-2-ylethanone, 2-Acetylpyridine (natural), FEMA No. 3251, CCRIS 7784, A21002_ALDRICH, FEMA 3251, MLS002152864, W325104_ALDRICH, 61803_FLUKA, EINECS 214-355-6, NSC 15043, CID14286

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

• 2-Mercapto Benzoic Acid
IUPAC Name: 2-sulfanylbenzoic acid | CAS Registry Number: 147-93-3
Synonyms: Thiosalicylic acid, 2-Carboxythiophenol, o-Mercaptobenzoic acid, o-Thiosalicylic acid, 2-Mercaptobenzoic acid, o-Carboxythiophenol, o-Benzoic acid thiol, 2-Sulfanylbenzoic acid, 2-Thiosalicylic acid, Benzoic acid, 2-mercapto-, o-Sulfhydrylbenzoic acid, Salicylic acid, 2-thio-, BENZOIC ACID, O-MERCAPTO-, USAF KF-2, WLN: SHR BVQ, USAF XR-35, USAF EK-T-2805, o-Mercaptobenzoesaeure [German], T33200_ALDRICH, HSDB 2739

Molecular Formula: C7H6O2SMolecular Weight: 154.186340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NBOMNTLFRHMDEZ-UHFFFAOYSA-N

• 3,6-Dichloropyridazine
IUPAC Name: 3,6-dichloropyridazine | CAS Registry Number: 141-30-0
Synonyms: Pyridazine, 3,6-dichloro-, D73200_ALDRICH, EINECS 205-478-6, TPC-001, NSC 54498, NSC54498, BTB 05810, ZINC01685243, LS-129560, TL800742080, InChI=1/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GUSWJGOYDXFJSI-UHFFFAOYSA-N

• 4(N N-Dimethylamine)Pyridine
IUPAC Name: N,N-dimethylpyridin-4-amine | CAS Registry Number: 1122-58-3
Synonyms: dmap, 4-Dimethylaminopyridine, p-Dimethylaminopyridine, 4-(Dimethylamino)pyridine, 4-Pyridinamine, N,N-dimethyl-, Pyridine, 4-(dimethylamino)-, N,N-Dimethylpyridin-4-amine, gamma-(Dimethylamino)pyridine, CCRIS 6176, N,N-DIMETHYL-4-PYRIDINAMINE, 107700_ALDRICH, 522805_ALDRICH, 522821_ALDRICH, 4-DIMETHYLAMINO PYRIDINE, 39405_FLUKA, EINECS 214-353-5, BRN 0110354, N,N-dimethyl-N-(4-pyridinyl)amine, SBB008765, LS-131426

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHYFNPMBLIVWCW-UHFFFAOYSA-N

• 4-Amino-3,5-Dichloropyridine
IUPAC Name: 3,5-dichloropyridin-4-amine | CAS Registry Number: 22889-78-7
Synonyms: Maybridge1_006016, 3,5-Dichloro-4-pyridinamine, 3,5-Dichloropyridin-4-amine, 3,5-dichloropyridin-4-ylamine, 4-Pyridinamine, 3,5-dichloro-, Pyridin-4-amino, 3,5-dichloro-, EINECS 245-304-6, SBB016175, A141, TL8001915, AC-907/25014344

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISIQAMHROGZHOV-UHFFFAOYSA-N

• 4-Bromotoluene
IUPAC Name: 1-bromo-4-methylbenzene | CAS Registry Number: 106-38-7
Synonyms: p-Bromotoluene, p-Tolyl bromide, Toluene, p-bromo-, Parabromotoluene, p-Methylbromobenzene, 1-Bromo-4-methylbenzene, 4-Tolyl bromide, 4-Methylbromobenzene, 4-BROMOTOLUENE, p-Methylphenyl bromide, Toluene, 4-bromo-, Benzene, 1-bromo-4-methyl-, 1-Methyl-4-bromobenzene, 4-Bromo-1-methylbenzene, 4-Methyl-1-bromobenzene, 4-Methylphenyl bromide, CCRIS 5983, B82200_ALDRICH, HSDB 6015, NSC 6531

Molecular Formula: C7H7BrMolecular Weight: 171.034480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZBTMRBYMKUEVEU-UHFFFAOYSA-N

• 4-Chloro-3-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid | CAS Registry Number: 1205-30-7
Synonyms: CSBA, 4-Chloro-3-sulfamoylbenzoic acid, Sulfamido-3-chlorobenzoic acid, Oprea1_356117, 4-Chloro-5-sulphamoylbenzoic acid, 293598_ALDRICH, EINECS 214-882-1, CID14568, BRN 2118346, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-, LS-36653, TL806358, ST5319885

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N


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