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2A Pharmachem USA

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Profile: 2A Pharmachem USA provides fine chemicals, pharmaceutical intermediates, and active pharmaceutical ingredients. We supply products to pharmaceutical & biotech companies, research organizations and university labs. We are engaged in the marketing development, sales, technical support and service. We specialize in the pharmaceutical and biotech industries. Our active pharmaceutical ingredients include sulfacetamide sodium, phenylephrine hydrogentartrate, d-tyrosine, sulfinpyrazone, isopulegol, ketamine, and trans-chlordane.

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• 1-(2,4-Difluorophenyl)biguanide hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine;hydrochloride | CAS Registry Number: 66088-52-6
Synonyms: ACMC-20aozx, SureCN4476848, 572292_ALDRICH, CTK2F2590, MolPort-000-154-471, RJF00041, SBB100639, AKOS005072993, AG-C-13853, RP14218, KB-63797, FT-0605481, A835329, I01-13855, aminoiminomethylaminoiminomethylaminodifluorobenzenehydrochloride, 1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine hydrochloride, 1-carbamimidamido-N-(2,4-difluorophenyl)methanimidamide hydrochloride, Imidodicarbonimidicdiamide, N-(2,4-difluorophenyl)-, hydrochloride (1:1), 1-[bis(azanyl)methylidene]-2-[2,4-bis(fluoranyl)phenyl]guanidine hydrochloride, 1-{[{[Amino(imino)methyl]amino}(imino)methyl] amino}-2,4-difluorobenzene hydrochloride

Molecular Formula: C8H10ClF2N5Molecular Weight: 249.648306 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: XIUCHDFQXPAMQP-UHFFFAOYSA-N

• 1-(2,5-Difluorophenyl)biguanide hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-(2,5-difluorophenyl)guanidine;hydrochloride | CAS Registry Number: 66088-53-7
Synonyms: N-(2,5-Difluorophenyl)imidodicarbonimidic diamide hydrochloride, ACMC-20apda, CTK7D2080, MolPort-001-777-296, PC7815, SBB100637, AKOS015913559, AG-C-13947, KB-86646, FT-0605491, A835330, I14-46237, 1-(diaminomethylidene)-2-(2,5-difluorophenyl)guanidine hydrochloride, 1-carbamimidamido-N-(2,5-difluorophenyl)methanimidamide hydrochloride, 1-[bis(azanyl)methylidene]-2-[2,5-bis(fluoranyl)phenyl]guanidine hydrochloride

Molecular Formula: C8H10ClF2N5Molecular Weight: 249.648306 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: VVAARBLQYHGNAY-UHFFFAOYSA-N

• 1,3-Dichlorohexafluoropropane
IUPAC Name: 1,3-dichloro-1,1,2,2,3,3-hexafluoropropane | CAS Registry Number: 662-01-1
Synonyms: EINECS 211-552-9, CID69580, 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane, LS-119963, ST5409684, 1,1,2,2,3,3-HEXAFLUORO-1,3-DICHLOROPROPANE

Molecular Formula: C3Cl2F6Molecular Weight: 220.928519 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JETINLPZEWINFD-UHFFFAOYSA-N

• (R)-(+)-3-Amino-1,2-propandiol
IUPAC Name: (2R)-3-aminopropane-1,2-diol | CAS Registry Number: 66211-46-9
Synonyms: (R)-3-Amino-1,2-propanediol, (2R)-3-aminopropane-1,2-diol, (R)-(+)-Amino-1,2-propanediol, (r)-(+)-3-amino-1,2-propanediol, PubChem5711, AC1ODVQC, r-3-amino-1,2-propanol, r-3-amino-1,2-propanediol, KSC491Q6B, (R)-3-aminopropane-1,2-diol, 09267_FLUKA, CTK3J1860, (r)-3-amino-1, 2-propanediol, MolPort-003-925-628, R(-)-3-amino-1,2-propanediol, ACN-S003490, ACT02370, ANW-35158, AKOS005259374, AKOS006339503

Molecular Formula: C3H9NO2Molecular Weight: 91.109060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KQIGMPWTAHJUMN-GSVOUGTGSA-N

• 1,1,1,2,2,3,3,4-Octafluorobutane
IUPAC Name: 1,1,1,2,2,3,3,4-octafluorobutane | CAS Registry Number: 662-35-1
Synonyms: 1,1,1,2,2,3,3,4-octafluorobutane, Butane, octafluoro-, AC1MCQIX, 1H,1H-Perfluorobutane, 1H,1H-Octafluorobutane, CTK0J3274, MolPort-001-776-132, PC5328, SBB092848, AKOS015852828, AG-G-49622, AG-L-63173, KB-09710, FT-0605895, FT-0607861, 1,1,1,2,2,3,3,4-octakis(fluoranyl)butane, A835381, 26447-60-9

Molecular Formula: C4H2F8Molecular Weight: 202.045906 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: XALFNZSGFNPWSM-UHFFFAOYSA-N

• 1,4-Bis(2,2,2-trifluoroethoxy)benzene
IUPAC Name: 1,4-bis(2,2,2-trifluoroethoxy)benzene | CAS Registry Number: 66300-61-6
Synonyms: ZINC00164483, EINECS 266-304-2, CID737156, SB 00887

Molecular Formula: C10H8F6O2Molecular Weight: 274.159739 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ZHUBFESHPMGIDZ-UHFFFAOYSA-N

• (2-Aminothiazol-4-yl)hydroxyimino acetic acid
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid | CAS Registry Number: 66338-96-3
Synonyms: 2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid, CTK5C4296, ANW-54069, AG-G-50218, KB-162296, A835426, 2-(2-amino-4-thiazolyl)-2-hydroxyiminoacetic acid, 4-Thiazoleacetic acid,2-amino-a-(hydroxyimino)-, (aZ)-, (Z)-2-(2-AMINOTHIAZOL-4-YL)-2-HYDROXYIMINOACETIC ACID, 2-(2-azanyl-1,3-thiazol-4-yl)-2-hydroxyimino-ethanoic acid, 4-Thiazoleaceticacid, 2-amino-a-(hydroxyimino)-,(Z)-;(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acid;(Z)-2-Amino-a-(hydroxyimino)-4-thiazoleaceticacid;

Molecular Formula: C5H5N3O3SMolecular Weight: 187.176500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: URGSBEYHHRKMJL-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one | CAS Registry Number: 66346-01-8
Synonyms: HWG 1608-Alkylketon, ZINC02562558, CID94617, 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-, LS-101927, TL8004699, 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one, T5379927

Molecular Formula: C13H17ClOMolecular Weight: 224.726480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ILQGIJDYSLHIOX-UHFFFAOYSA-N

• (4-Amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid | CAS Registry Number: 66376-36-1
Synonyms: alendronate, ALENDRONIC ACID, Arendal, 1yhm, bisphosphonate, 65, Alendronic acid (INN), ALENDRONATE SODIUM, Acide alendronique [INN-French], Acido alendronico [INN-Spanish], Acidum alendronicum [INN-Latin], Alendronic acid [BAN:INN], Alendronic acid [INN:BAN], Oprea1_422906, SPECTRUM1505166, CHEBI:2567, CID2088, MK 217, AIDS112217, AIDS-112217, (4-Amino-1-hydroxybutylidene)bisphosphonic acid

Molecular Formula: C4H13NO7P2Molecular Weight: 249.096042 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: OGSPWJRAVKPPFI-UHFFFAOYSA-N

• 1,3-Benzothiazole-2-carbaldehyde
IUPAC Name: 1,3-benzothiazole-2-carbaldehyde | CAS Registry Number: 6639-57-2
Synonyms: Benzothiazole-2-carbaldehyde, 2-Benzothiazolecarboxaldehyde, NSC49210, AIDS124745, AIDS-124745, NSC 49210, ZINC00158622, CC 06004

Molecular Formula: C8H5NOSMolecular Weight: 163.196400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RHKPJTFLRQNNGJ-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroisoquinoline-3(S)-carboxylic acid
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 67123-97-1
Synonyms: Tic-AA, IFLab1_006055, ZERO/005048, NSC14794, EINECS 255-610-1, EINECS 266-580-4, NSC 14794, Tetrahydro-3-isoquinoline carboxylic acid, TL8000164, EU-0099971, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, C078986, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-isomer, 35186-99-3, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (+-)-isomer

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-UHFFFAOYSA-N

• (S)-4-Hydroxy-2-pyrrolidone
IUPAC Name: (4S)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 68108-18-9
Synonyms: 4-hydroxypyrrolidin-2-one, 2-Pyrrolidinone, 4-hydroxy-, 479179_ALDRICH, (S)-beta-Hydroxy-gamma-butyrolactam, 2-Pyrrolidinone, 4-hydroxy-, (4S)-, (S)-(−)-4-Hydroxy-2-pyrrolidinone, InChI=1/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-VKHMYHEASA-N

• 1-(4-Hydroxy-2-chlorophenyl)ethanone
IUPAC Name: 1-(2-chloro-4-hydroxyphenyl)ethanone | CAS Registry Number: 68301-59-7
Synonyms: 2'-Chloro-4'-hydroxyacetophenone, 1-(2-Chloro-4-hydroxyphenyl)ethanone, SBB068752, AG-G-61893, 4-Acetyl-3-chlorophenol, SureCN5460462, KSC627O5R, 2-Chloro-4-Hydroxyacetophenone, CTK5C7758, MolPort-001-770-662, 2'-Chloro-4'-hydroxyacethophenome, ACT00643, 1-acetyl-2-chloro-4-hydroxybenzene, ZINC02512280, AKOS013154157, RP23286, AC-19857, AK-36102, BR-36102, Ethanone,1-(2-chloro-4-hydroxyphenyl)-

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

InChIKey: LEQXWOPVKMSPDV-UHFFFAOYSA-N

• [(Diphenylmethyl)thio]acetamide
IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula: C15H15NOSMolecular Weight: 257.350700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• 1-(4-Nitrophenyl)imidazoline-2-thione
IUPAC Name: 1-(4-nitrophenyl)imidazolidine-2-thione | CAS Registry Number: 6857-35-8
Synonyms: 1-(4-nitrophenyl)imidazolidine-2-thione, CTK5C8211, AKOS015833460, AG-G-64545, 1-(4-nitrophenyl)-2-imidazolidinethione, KB-86803, C-5512, A836188, I09-2279, 2H-Imidazole-2-thione,1,3-dihydro-4-(4-nitrophenyl)-

Molecular Formula: C9H9N3O2SMolecular Weight: 223.251660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FDIDPYNYTUYLCD-UHFFFAOYSA-N

• (+/-)-3-Aminohomopiperidine
IUPAC Name: azepan-3-amine | CAS Registry Number: 69154-03-6
Synonyms: 3-Aminohomopiperidine, Azepan-3-amine, (+/-)-3-amino-homopiperidine, azepan-3-ylamine, Hexahydro-1H-azepin-3-amine, rac-azepan-3-amine, 3-amino-homopiperidine, AG-G-68841, (R)-3-AMINO-HEXAHYDRO-1H-AZEPIN, AC1MBTL8, SureCN913514, (+/-)-3-aminohomopiperidine, 1H-Azepin-3-amine,hexahydro-, CTK5C9157, MolPort-000-151-093, ACT01819, ANW-51510, SBB069776, AKOS011935651, AB11528

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

InChIKey: WJUBYASTGWKFHK-UHFFFAOYSA-N

• 1-(Dibenzosuberyl)piperazine
Synonyms: 1-(Dibenzosuberyl)-piperazine, BRN 0546695, LS-111570, 1-(10,11-Dihydrodibenzo(a,d)cyclohepten-5-yl)piperazine, Piperazine, 1-(10,11-dihydrodibenzo(a,d)cyclohepten-5-yl)-

Molecular Formula: C19H22N2Molecular Weight: 278.391380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MDBCLUYDTRHKCA-UHFFFAOYSA-N

• 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
IUPAC Name: 2H-[1,2,4]triazolo[4,3-a]pyridin-3-one | CAS Registry Number: 6969-71-7
Synonyms: s-Triazolo[4,3-a]pyridin-3-ol, 3-Hydroxytriazolo[4,3-a]pyridine, NSC68462, EINECS 230-191-8, ZINC00063776, ZINC02654018, [1,2,4]Triazolo[4,3-a]pyridin-3(2H)-one, TL8004899, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, T5245627

Molecular Formula: C6H5N3OMolecular Weight: 135.123400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LJRXNXBFJXXRNQ-UHFFFAOYSA-N

• 1,4-Dibromo-2-butene
IUPAC Name: (Z)-1,4-dibromobut-2-ene | CAS Registry Number: 6974-12-5
Synonyms: WLN: E2U2E, TL 80, 2-BUTENE, 1,4-DIBROMO-, NSC23187

Molecular Formula: C4H6Br2Molecular Weight: 213.898440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RMXLHIUHKIVPAB-UPHRSURJSA-N

• (S)-4-Amino-3-hydroxybutanoic acid
IUPAC Name: (3S)-4-amino-3-hydroxybutanoic acid | CAS Registry Number: 7013-05-0
Synonyms: (S)-4-AMINO-3-HYDROXYBUTANOIC ACID, (3S)-4-amino-3-hydroxybutanoic acid, SBB065945, (S)-(+)-Amino-3-hydroxybutanoic acid, (S)-(+)-4-Amino-3-hydroxybutyric acid, PubChem5723, AC1ODZKT, UNII-CM46XGM78M, CHEMBL296263, (S)-(+)-3-Hydroxy-GABA, CTK5D1896, CHEBI:162158, MolPort-003-983-914, DNC014732, AG-G-73773, (3S)-4-azanyl-3-oxidanyl-butanoic acid, AC-13943, AK126642, Butanoic acid,4-amino-3-hydroxy-, (3S)-, KB-211529

Molecular Formula: C4H9NO3Molecular Weight: 119.119160 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YQGDEPYYFWUPGO-VKHMYHEASA-N

• 1,3-Diazaspiro[4.5]decane-2,4-dione
IUPAC Name: 1,3-diazaspiro[4.5]decane-2,4-dione | CAS Registry Number: 702-62-5
Synonyms: Hydantoin, pentamethylene-, 5,5-Pentamethylenehydantoin, Pentamethylenehydantoin, 5,5'-Cyclohexanespirohydantoin, Hydantoin, 5,5-pentamethylene-, Maybridge1_004385, 5,5-Pentamethylenespirohydantoin, Cyclohexanespiro-5'-hydantoin, Ba 2840, Oprea1_691915, Cyclohexane-(spiro-5)-hydantoin, NSC16617, Spiro(cyclohexane-1,5'-hydantoin), EINECS 211-868-7, 5, 5-Pentamethylenespirohydantoin, NSC 16617, AIDS124195, NSC 172110, AIDS-124195, Spiro[cyclohexane-1,5'-hydantoin]

Molecular Formula: C8H12N2O2Molecular Weight: 168.193080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NERNEXMEYQFFHU-UHFFFAOYSA-N

• 1,4-Dimethyltetrafluorobenzene
IUPAC Name: 1,2,4,5-tetrafluoro-3,6-dimethylbenzene | CAS Registry Number: 703-87-7
Synonyms: 2,3,5,6-Tetrafluoro-p-xylene, 307769_ALDRICH, 1,2,4,5-Tetrafluoro-3,6-dimethylbenzene, T199, TL8004967

Molecular Formula: C8H6F4Molecular Weight: 178.126853 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IWKPBYPUIPVYNZ-UHFFFAOYSA-N

• 1,4-Bis(N-octyloxy)-2,5-di-tert-pentylbenzene
IUPAC Name: 1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene | CAS Registry Number: 70544-46-6
Synonyms: 1,4-Bis(1,1-Dimethylpropyl)-2,5-bis(octyloxy)benzene, Benzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-

Molecular Formula: C32H58O2Molecular Weight: 474.801720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KXSIYNASVRUUQO-UHFFFAOYSA-N

• 1,2-Dichlorohexafluorocyclopent-1-ene
IUPAC Name: 1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene | CAS Registry Number: 706-79-6
Synonyms: Cyclopentene-26, 1,2-Dichlorohexafluorocyclopentene, 1,2-Dichloroperfluorocyclopentene, 1,2-Dichlorohexafluoro-1-cyclopentene, 545333_ALDRICH, EINECS 211-895-4, CYCLOPENTENE, 1,2-DICHLOROHEXAFLUORO-, NSC 41877, NSC41877, BRN 2053012, Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-, LS-58307, ST5410293, 1,2-Dichloro-3,3,4,4,5,5-hexafluorocyclopentene, 4-05-00-00213 (Beilstein Handbook Reference), InChI=1/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)

Molecular Formula: C5Cl2F6Molecular Weight: 244.949919 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: ABPBVCKGWWGZDP-UHFFFAOYSA-N

• 1-(3-Nitrophenyl)-2-thiourea
IUPAC Name: (3-nitrophenyl)thiourea | CAS Registry Number: 709-72-8
Synonyms: AIDS114921, AIDS-114921, NSC407996, ZINC01600237, ST5171236, Amino[(3-nitrophenyl)amino]methane-1-thione

Molecular Formula: C7H7N3O2SMolecular Weight: 197.214380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HQEMUQNZGCZHHN-UHFFFAOYSA-N

• (S)-Glycidyl tosylate
IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 70987-78-9
Synonyms: Glycidyl tosylate, (+)-Glycidyl tosylate, (2S)-(+)-Glycidyl tosylate, CCRIS 6400, (2S)-()-Glycidyl tosylate, 540129_ALDRICH, (S)-()-Glycidyl p-toluenesulfonate, BRN 3592143, CID153296, NSC636971, ZINC01624985, NCI60_012248, LS-101059, Oxiranemethanol, 4-methylbenzenesulfonate, (S)-, ST5319392, TL8004999, (S)-()-Oxirane-2-methanol p-toluenesulfonate, 5-17-03-00047 (Beilstein Handbook Reference)

Molecular Formula: C10H12O4SMolecular Weight: 228.264880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N

• (R)-(+) 4-Bromotetramisole oxalate
IUPAC Name: (6R)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole | CAS Registry Number: 71461-24-0
Synonyms: S(-)-p-Bromotetramisole oxalate, ZINC00056496, NCGC00162046-01

Molecular Formula: C11H11BrN2SMolecular Weight: 283.187440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HTHGAIADRJRJOY-JTQLQIEISA-N

• 1,2,3-Benzothiadiazole-5-carbaldehyde
IUPAC Name: 2,1,3-benzothiadiazole-5-carbaldehyde | CAS Registry Number: 71605-72-6
Synonyms: 2,1,3-benzothiadiazole-5-carbaldehyde, benzo[c][1,2,5]thiadiazole-5-carbaldehyde, AG-G-80755, 2,1,3-Benzothiadiazole-5-Carboxaldehyde, ZINC00158661, AC1MCQUX, CTK2H6948, MolPort-000-142-370, 5-Formyl-2,1,3-benzothiadiazole, ALBB-007840, ANW-59626, SBB049064, STK504845, AKOS005072973, MCULE-4142375542, RP02364, AK-44933, BP-10366, KB-16112, FT-0608998

Molecular Formula: C7H4N2OSMolecular Weight: 164.184460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GEFIFDVQYCPLHC-UHFFFAOYSA-N

• (5-Chloro-1-benzothiophen-3-yl)methylamine
IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methanamine | CAS Registry Number: 71625-90-6
Synonyms: (5-CHLORO-1-BENZOTHIOPHEN-3-YL)METHYLAMINE, (5-chloro-1-benzothiophen-3-yl)methanamine, AC1ME0TJ, SureCN3180021, AC1Q543N, CTK7E6857, MolPort-001-767-177, SBB092223, AKOS006229290, AG-A-05767, AK-45744, KB-02129, (5-chlorobenzo[b]thiophen-3-yl)methanamine, (5-chlorobenzo[b]thiophen-3-yl)methylamine, FT-0604818, (5-chloranyl-1-benzothiophen-3-yl)methanamine, A837262, I14-12838, I14-56781

Molecular Formula: C9H8ClNSMolecular Weight: 197.684520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VRNXLYAXYIHHHH-UHFFFAOYSA-N

• (Hexafluoro-2-hydroxyisopropyl)benzene
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol | CAS Registry Number: 718-64-9
Synonyms: Hexafluoro-2-phenyl isopropanol, 107565_ALDRICH, Hexafluoro-2-phenyl-2-propanol, Bis(trifluoromethyl)phenylcarbinol, NSC96337, EINECS 211-943-4, ZINC00157910, 1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanol, 2,2,2,2',2',2'-Hexafluorocumyl alcohol, alpha,alpha-Bis(trifluoromethyl)benzyl alcohol, TL8005033, Benzenemethanol, alpha,alpha-bis(trifluoromethyl)-, Benzyl alcohol, .alpha.,.alpha.-bis(trifluoromethyl)-, Benzenemethanol, .alpha.,.alpha.-bis(trifluoromethyl)-

Molecular Formula: C9H6F6OMolecular Weight: 244.133759 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: IZPIZCAYJQCTNG-UHFFFAOYSA-N

• (4-Nitrophenyl)piperazin-1-yl-methanone
IUPAC Name: (4-nitrophenyl)-piperazin-1-ylmethanone | CAS Registry Number: 72141-41-4
Synonyms: 1-(4-Nitrobenzoyl)piperazine, (4-nitrophenyl)piperazin-1-yl-methanone, (4-nitrophenyl)(piperazino)methanone, (4-Nitrophenyl)(piperazin-1-yl)methanone, (4-Nitro-phenyl)-piperazin-1-yl-methanone, 4-nitrophenyl piperazinyl ketone, AC1LBYOW, BAS 01375857, Maybridge1_001363, nitrophenylpiperazinomethanone, SureCN2710229, Oprea1_856236, Oprea1_857687, 1-(4-nitrobenzoyl)-piperazine, CHEMBL327793, CTK5D5604, HMS545F21, MolPort-000-157-783, BTB06396, CCG-51542

Molecular Formula: C11H13N3O3Molecular Weight: 235.239220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HIQSQKKHPVVUEJ-UHFFFAOYSA-N

• 1-(2-Nitrophenyl)-3-phenyl-2-thiourea
IUPAC Name: 1-(2-nitrophenyl)-3-phenylthiourea | CAS Registry Number: 72602-73-4
Synonyms: 1-(2-nitrophenyl)-3-phenylthiourea, ST50410498, ZINC04244896, AC1MC26I, CTK5D6553, MolPort-000-157-777, 1-(2-nitrophenyl)-3-phenyl-thiourea, AKOS002665667, AG-G-86027, MCULE-9160976187, 1-(2-nitro-phenyl)-3-phenyl-thiourea, Thiourea,N-(2-nitrophenyl)-N'-phenyl-, KB-86963, FT-0641415, A837576, [(2-nitrophenyl)amino](phenylamino)methane-1-thione, I09-2277, 5872-05-9

Molecular Formula: C13H11N3O2SMolecular Weight: 273.310340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YNLDZXYYXGYXNA-UHFFFAOYSA-N

• (R)-2-Hydroxy-3-phenylpropionic acid
IUPAC Name: (2R)-2-hydroxy-3-phenylpropanoate | CAS Registry Number: 7326-19-4
Synonyms: (R)-phenyllactate, (R)-3-phenyllactate, CHEBI:11009, CPD-5921, (2R)-2-hydroxy-3-phenylpropanoate, ZINC00388090

Molecular Formula: C9H9O3-Molecular Weight: 165.165960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VOXXWSYKYCBWHO-MRVPVSSYSA-M

• (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
IUPAC Name: (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 74163-81-8
Synonyms: 421626_ALDRICH, 87437_FLUKA, AL081-1, ST5330564, L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-VIFPVBQESA-N

• (2-Aminothiazol-4-yl)-tert-butoxycarbonylmethoxyimino acetic acid
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid | CAS Registry Number: 74440-02-1
Synonyms: (z)-2-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonylmethoxyimino)acetic acid, AG-G-95980, AGN-PC-01YTGE, CTK5D9871, ANW-44821, A838131, 2-(2-amino-4-thiazolyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid, 4-Thiazoleacetic acid,2-amino-a-[[2-(1,1-dimethylethoxy)-2-oxoethoxy]imino]-,(aZ)-, (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetic acid, 2-(2-Aminothiazol-4-yl)-2-[(Z)-tert-butoxycarbonylmethoxyimino]aceticacid;4-Thiazoleaceticacid, 2-amino-a-[[2-(1,1-dimethylethoxy)-2-oxoethoxy]imino]-,(Z)-;, 2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoic acid

Molecular Formula: C11H15N3O5SMolecular Weight: 301.318900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: XSQPXYAKVKORFJ-UHFFFAOYSA-N

• 1-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine
IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline | CAS Registry Number: 74852-62-3
Synonyms: ZINC04651118, TL8005142, 4-(4-(4-Methoxyphenyl)-1-piperazinyl)benzenamine, Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

Molecular Formula: C17H21N3OMolecular Weight: 283.368140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• (R)-(-)-2-Methylpiperazine
IUPAC Name: (2R)-2-methylpiperazine | CAS Registry Number: 75336-86-6
Synonyms: R-2-Methylpiperazine, 397164_ALDRICH, NSC5277, 2-METHYL PIPERAZINE, ANHYDROUS, CID7330434, (R)-(−)-2-Methylpiperazine, FS011294, TL8005161, InChI=1/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H, 109-07-9

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-RXMQYKEDSA-N

• 1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid hydrobromide
IUPAC Name: 1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid;hydrobromide | CAS Registry Number: 75776-79-3
Synonyms: AG-H-02101, MolPort-020-001-036, SBB067166, AKOS015904443, I111, A838506, I14-1714, 1,4-Dithia-7-azaspiro[4,4]nonane-8-carboxylic acid HBr, 6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid hydrobromide

Molecular Formula: C7H12BrNO2S2Molecular Weight: 286.209680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DXALUCGGSBGKIY-UHFFFAOYSA-N

• (S)-(+)-2,2,-Dimethylcyclopropane carboxamide
IUPAC Name: 2,2-dimethylcyclopropane-1-carboxamide | CAS Registry Number: 75885-58-4
Synonyms: 2,2-Dimethylcyclopropanecarboxamide, EINECS 278-334-3, (S)-2,2-Dimethylcyclopropanecarboxamide, 2,2-Dimethyl-cyclopropanecarboxylic acid amide

Molecular Formula: C6H11NOMolecular Weight: 113.157640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YBZQRYWKYBZZNT-UHFFFAOYSA-N

• (s)-4-Isopropyl-1,3-thiazolidine-2-thione
IUPAC Name: (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione | CAS Registry Number: 76186-04-4
Synonyms: (S)-4-Isopropylthiazolidine-2-thione, (4S)-4-propan-2-yl-1,3-thiazolidine-2-thione, (4S)-4-Isopropyl-1,3-thiazolidine-2-thione, AC1Q1NSZ, 39933_ALDRICH, 39933_FLUKA, CTK4I5792, ANW-36747, ZINC15021154, AKOS015838437, AG-F-49947, AG-H-03918, 2-Thiazolidinethione,4-(1-methylethyl)-, KB-05490, (4S)-4-propan-2-yl-2-thiazolidinethione, (S)-4-isopropyl-1,3-thiazolidine-2-thione, I0575, (S)-4,5-Dihydro-4-isopropylthiazole-2-thiol, (4R)-4-(Prop-2-yl)-1,3-thiazolidine-2-thione, A838632

Molecular Formula: C6H11NS2Molecular Weight: 161.288240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CWIZUGZKLJDJLE-RXMQYKEDSA-N

• 1-(4-Bromophenyl)-2-pyrrolidinone
IUPAC Name: 1-(4-bromophenyl)pyrrolidin-2-one | CAS Registry Number: 7661-32-7
Synonyms: MLS000539454, ZINC00155729, 1-(4-bromophenyl)-2-pyrrolidinone, CID736110, SMR000125112, ST5307233

Molecular Formula: C10H10BrNOMolecular Weight: 240.096500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YINFEFUSAQRZGG-UHFFFAOYSA-N

• 1-(4-Nitrophenyl)-3-phenyl-2-thiourea
IUPAC Name: 1-(4-nitrophenyl)-3-phenylthiourea | CAS Registry Number: 7669-49-0
Synonyms: 1-(4-nitrophenyl)-3-phenylthiourea, ST50410497, ZINC04244897, AC1MC26L, CTK2G7447, MolPort-000-157-778, N-(4-nitrophenyl)-N'-phenylthiourea, 1-(4-nitrophenyl)-3-phenyl-thiourea, AKOS003410071, AG-H-06216, MCULE-8234531674, KB-87138, Thiourea, N-(4-nitrophenyl)-N'-phenyl-, KB-102308, LS-153561, FT-0636552, A838800, [(4-nitrophenyl)amino](phenylamino)methane-1-thione, I09-2281

Molecular Formula: C13H11N3O2SMolecular Weight: 273.310340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NNWRRGBHDKYELI-UHFFFAOYSA-N

• 1,2-Bis(dipentafluorophenylphosphino)ethane
IUPAC Name: 2-bis(2,3,4,5,6-pentafluorophenyl)phosphanylethyl-bis(2,3,4,5,6-pentafluorophenyl)phosphane | CAS Registry Number: 76858-94-1
Synonyms: 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane, 1,2-Bis(bis(perfluorophenyl)phosphino)ethane, Ethane-1,2-diylbis[bis(pentafluorophenyl)phosphane], DFPPE, PubChem6546, AC1MC1FK, ACMC-209p6f, 488143_ALDRICH, PC1227GE, CTK3J1559, MolPort-001-771-985, ANW-36901, AKOS015913084, SC11244, 2-bis(2,3,4,5,6-pentafluorophenyl)phosphanylethyl-bis(2,3,4,5,6-pentafluorophenyl)phosphane, AK113356, AB1007453, B3428, FT-0606309, BIS(DIPENTAFLUOROPHENYLPHOSPHINE)ETHANE

Molecular Formula: C26H4F20P2Molecular Weight: 758.225548 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 20

InChIKey: IGLFIYOFKVGEBP-UHFFFAOYSA-N

• 1,4-Bis(diphenylphosphino)butane
IUPAC Name: 4-di(phenyl)phosphanylbutyl-di(phenyl)phosphane | CAS Registry Number: 7688-25-7
Synonyms: dppb, Bis(1,4-diphenylphosphino)butane, 261947_ALDRICH, 14805_FLUKA, 1,4-Bis[diphenylphosphino]butane, EINECS 231-698-7, Butane-1,4-diylbis(diphenylphosphine), Phosphine, 1,4-butanediylbis(diphenyl-, [4-(Diphenylphosphino)butyl](diphenyl)phosphine

Molecular Formula: C28H28P2Molecular Weight: 426.469442 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BCJVBDBJSMFBRW-UHFFFAOYSA-N

• (+/-)-Methadone
IUPAC Name: 6-(dimethylamino)-4,4-di(phenyl)heptan-3-one | CAS Registry Number: 76-99-3
Synonyms: methadone, Adanon, dl-Methadone, Physeptone, Diaminon, Dolophin, Ketalgin, Methadon, Dextromethadone, Levomethadone, Sedo-Rapide, Algovetin, Dolophine, Heptadone, Heptanon, Levothyl, Phenadone, Polamivet, Amidone, Amidon

Molecular Formula: C21H27NOMolecular Weight: 309.445180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USSIQXCVUWKGNF-UHFFFAOYSA-N

• (S)-(+)-2-Phenylpropionic acid
IUPAC Name: 2-phenylpropanoic acid | CAS Registry Number: 7782-24-3
Synonyms: Hydratropic acid, 2-Phenylpropionic acid, Hydratropasaeure, 2-Phenylpropanoic acid, ()-Hydratropic acid, (+-)-Hydratropasaeure, (+-)-hydratropic acid, alpha-Phenylpropioic acid, alpha-Methylphenylacetic acid, alpha-Methylbenzeneacetic acid, ()-2-Phenylpropionic acid, .alpha.-Phenylpropionic acid, P31701_ALDRICH, ALPHA-PHENYLPROPIONIC ACID, hydratropic acid, (R)-isomer, hydratropic acid, (S)-isomer, Benzeneacetic acid, .alpha.-methyl-, .alpha.-Methylphenylacetic acid, hydratropic acid, (+-)-isomer, .alpha.-Methylbenzeneacetic acid

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YPGCWEMNNLXISK-UHFFFAOYSA-N

• (R)-(-)-2-Phenylpropionic acid
IUPAC Name: 2-phenylpropanoic acid | CAS Registry Number: 7782-26-5
Synonyms: Hydratropic acid, 2-Phenylpropionic acid, Hydratropasaeure, 2-Phenylpropanoic acid, ()-Hydratropic acid, (+-)-Hydratropasaeure, (+-)-hydratropic acid, alpha-Phenylpropioic acid, alpha-Methylphenylacetic acid, alpha-Methylbenzeneacetic acid, ()-2-Phenylpropionic acid, .alpha.-Phenylpropionic acid, P31701_ALDRICH, ALPHA-PHENYLPROPIONIC ACID, hydratropic acid, (R)-isomer, hydratropic acid, (S)-isomer, Benzeneacetic acid, .alpha.-methyl-, .alpha.-Methylphenylacetic acid, hydratropic acid, (+-)-isomer, .alpha.-Methylbenzeneacetic acid

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YPGCWEMNNLXISK-UHFFFAOYSA-N

• (S)-4-Isopropyl-3-propionyl-2-oxazolidinone
IUPAC Name: (4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one | CAS Registry Number: 77877-19-1
Synonyms: (S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone, (S)-4-isopropyl-3-propionyloxazolidin-2-one, (S)-3-Propionyl-4-isopropyl-2-oxazolidinone, PubChem2451, AC1LGWTR, SureCN3627925, 335304_ALDRICH, 59735_FLUKA, CTK3J7107, MolPort-003-930-353, ANW-37116, TD8073, ZINC00389575, AKOS015838433, AG-H-12194, AG-L-24431, AK-86880, BP-12793, KB-05493, TL8005337

Molecular Formula: C9H15NO3Molecular Weight: 185.220300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HOWPHXVPNNPSAZ-SSDOTTSWSA-N

• (R)-1,4-Dioxaspiro[4,5]decane-2-carboxaldehyde
IUPAC Name: (3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde | CAS Registry Number: 78008-36-3
Synonyms: (R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde, (R)-1,4-Dioxaspiro[4.5]decane-2-carbaldehyde, (R)-2,3-Cyclohexylideneglyceraldehyde, PubChem5772, 543039_ALDRICH, (R)-Cyclohexylideneglyceraldehyde, CTK5E5291, MolPort-003-936-301, ACT03201, ANW-47422, SBB067545, ZINC05018989, AKOS015855462, AKOS015911361, AG-H-12933, LS30005, O,O-Cyclohexylidene-(R)-glyceraldehyde, RP23244, 2,3-O-Cyclohexylidene-D-glyceraldehyde, AK-36379

Molecular Formula: C9H14O3Molecular Weight: 170.205660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FFGZPNNLXMQFMO-QMMMGPOBSA-N


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