Changzhou Kessie Chemical Co., Ltd.

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Profile: Changzhou Kessie Chemical Co., Ltd. manufactures intermediates, fine chemicals, and APIs. Our products include anti-cancer, indole derivatives, pyridine derivatives, and chiral derivatives. We offer contract manufacturing and custom-synthesis. We also have reactor for research & development, and bulk processing. Our indole derivatives include 7-azaindole, 6-bromoindole, 7-bromoindole, 7-nitroindole, 5-bromo-7-nitroindoline, 6-chloroindole-3-carboxaldehyde, 4-bromoindole-3-carboxaldehyde, 4-bromo-2-indolecarboxylic acid, 5-bromo-2-indolecarboxylic acid, 6-bromo-2-indolecarboxylic acid, and 6-6-bromo-2-indolecarboxylic methyl ester.

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• Amifostine

IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), Amifostine trihydrate, ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula:	C₅H₂₁N₂O₆PS	Molecular Weight:	268.268801 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Benzylamine

IUPAC Name: phenylmethanamine | CAS Registry Number: 100-46-9
Synonyms: BENZYLAMINE, Benzenemethanamine, Monobenzylamine, alpha-Aminotoluene, Moringine, 1-phenylmethanamine, (Phenylmethyl)amine, Benzylamine der, (Aminomethyl)benzene, phenylmethanamine, N-Benzylamine, QuadraPure BZA, omega-Aminotoluene, 1utj, 1utn, 2bza, Sumine 2005, Sumine 2006, .alpha.-Aminotoluene, .omega.-Aminotoluene

Molecular Formula:	C₇H₉N	Molecular Weight:	107.153060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WGQKYBSKWIADBV-UHFFFAOYSA-N

• Beta Phenyl Ethyl Amine

IUPAC Name: 2-phenylethanamine | CAS Registry Number: 64-04-0
Synonyms: Phenethylamine, Benzeneethanamine, phenylethylamine, 2-phenylethylamine, 2-Phenethylamine, beta-phenylethylamine, 2-Phenylethanamine, beta-Phenethylamine, beta-Aminoethylbenzene, 1tnj, 1utm, 1uto, (2-Aminoethyl)benzene, Ethanamine, 2-phenyl-, Ethylamine, 2-phenyl-, 1-Amino-2-phenylethane, 1-Phenyl-2-aminoethane, 2-Amino-1-phenylethane, Polystyrene A-NH2, .beta.-Phenethylamine

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

InChIKey: BHHGXPLMPWCGHP-UHFFFAOYSA-N

• Brimonidine Tartrate

IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; (2R,3R)-2,3-dihydroxybutanedioic acid | CAS Registry Number: 79570-19-7
Synonyms: Alphagan, Alphagan P, Lumigan, Brominide tartrate, Alphagan (TN), BRIMONIDINE TARTRATE, Brimonidine D-tartrate, Brimonidine tartrate [USAN], Brimonidine tartrate (USAN), C11H10BrN5.C4H6O6, AGN 190342LF, CID54405, LS-177484, D02076, brimonidine tartrate (1:1), (S-(R*,R*))-isomer, 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline D-tartrate (1:1), 109826-56-4, 59803-98-4, 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1), 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)

Molecular Formula:	C₁₅H₁₆BrN₅O₆	Molecular Weight:	442.221440 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: QZHBYNSSDLTCRG-LREBCSMRSA-N

• Chloromethyl Trimethyl Silane

IUPAC Name: chloromethyl(trimethyl)silane | CAS Registry Number: 2344-80-1
Synonyms: Silane CMM3, Chloromethyltrimethylsilane, (CH3)3SiCH2Cl, Silane, (chloromethyl)trimethyl-, (Chloromethyl)trimethylsilane, (Trimethylsilyl)methyl chloride, 205354_ALDRICH, 18146_FLUKA, 25300_FLUKA, CID75361, EINECS 219-058-5, 61696-01-3

Molecular Formula:	C₄H₁₁ClSi	Molecular Weight:	122.668640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OOCUOKHIVGWCTJ-UHFFFAOYSA-N

• Cisatracurium Besilate (Ninbex)

IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 96946-42-8
Synonyms: Nimbex, Cisatracurium, Cisatracurium besylate, Nimbium, Cisatracurium besilate, Benzenesulfonate, Nimbex Forte, Nimbex (TN), Cisatracurium besilate (INN), Cisatracurium besylate (USAN), NIMBEX PRESERVATIVE FREE, Cisatracurium besylate [USAN:BAN], 51W89, Atracurium besylate 1R-cis,1R'-cis form, C53H72N2O12.2C6H5O3S, DB00565, (1R-cis,1'R-cis)-Atracurium besylate, NCGC00017127-01, CAS-64228-81-5, LS-178337

Molecular Formula:	C₆₅H₈₂N₂O₁₈S₂	Molecular Weight:	1243.479180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	18

InChIKey: XXZSQOVSEBAPGS-DONVQRBFSA-L

• Cyclopenthiazide

IUPAC Name: 6-chloro-3-(cyclopentylmethyl)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide | CAS Registry Number: 742-20-1
Synonyms: cyclopenthiazide, Navidrex, Cyclomethiazide, Cyclometiazid, Cyclopentiazid, Navidreks, Navidrix, Benesal, Salimed, Salimid, Ultra-Minzil, Salurilo-C, Navidrex (TN), Ciba 8341-Su, Prestwick0_000994, Prestwick1_000994, Prestwick2_000994, Prestwick3_000994, BSPBio_001087, MLS000737270

Molecular Formula:	C₁₃H₁₈ClN₃O₄S₂	Molecular Weight:	379.882720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: BKYKPTRYDKTTJY-UHFFFAOYSA-N

• Dasatinib

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide hydrate | CAS Registry Number: 863127-77-9
Synonyms: Dasatinib hydrate, Dasatinib hydrate (JAN), D06414

Molecular Formula:	C₂₂H₂₈ClN₇O₃S	Molecular Weight:	506.020820 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: XHXFZZNHDVTMLI-UHFFFAOYSA-N

• Dibenzyl Amine

IUPAC Name: 1-phenyl-N-(phenylmethyl)methanamine | CAS Registry Number: 103-49-1
Synonyms: Dibenzylamine, Bibenzylamine, N-Benzylbenzylamine, N,N-Dibenylamine, DIBENZYL AMINE, DIBENZYL-AMINE, N-benzyl-1-phenylmethanamine, DBA (VAN), Benzenemethanamine, N-(phenylmethyl)-, (N-Benzylaminomethyl)benzene, Oprea1_559431, D34108_ALDRICH, NSC4811, N-(Phenylmethyl)benzenemethanamine, NSC 4811, EINECS 203-117-7, AI3-15327, ST5406304, TL8000150, DBA

Molecular Formula:	C₁₄H₁₅N	Molecular Weight:	197.275600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BWLUMTFWVZZZND-UHFFFAOYSA-N

• Entecavir

IUPAC Name: 2-amino-9-[(3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | CAS Registry Number: 142217-69-4
Synonyms: Baraclude, Entecavir [INN], Entecavir [USAN:INN], HSDB 7334, BMS 200475, CID170343, SQ 34676, NCGC00164563-01, LS-186647, LS-187009, LS-187784, 6H-Purin-6-one, 2-amino-1,9-dihydro-9-((1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-

Molecular Formula:	C₁₂H₁₅N₅O₃	Molecular Weight:	277.279200 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: QDGZDCVAUDNJFG-PPSBICQBSA-N

• Erlotinib

IUPAC Name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine | CAS Registry Number: 183321-74-6
Synonyms: Tarceva, erlotinib HCl, Erlotinib [INN], Erlotinib(Tarceva), nchembio866-comp3, OSI-774, STOCK6S-52681, CID176870, DB00530, NCGC00164574-01, BCB03_000783, CP 358774, CP-358774, LS-184395, CP 358,774, CP-358,774, K00241, C400278, N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine, 4-Quinazolinamine, N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-

Molecular Formula:	C₂₂H₂₃N₃O₄	Molecular Weight:	393.435720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: AAKJLRGGTJKAMG-UHFFFAOYSA-N

• Ethyl 6-Bromoindole-2-carboxylate

IUPAC Name: ethyl 6-bromo-1H-indole-2-carboxylate | CAS Registry Number: 103858-53-3
Synonyms: ethyl 6-bromo-1H-indole-2-carboxylate, ETHYL 6-BROMOINDOLE-2-CARBOXYLATE, AG-D-15288, 6-bromo-1H-indole-2-carboxylic acid ethyl ester, AR-437/43285096, 1H-Indole-2-carboxylicacid, 6-bromo-, ethyl ester, 6-Bromo-2-Indolecarboxylic ethyl ester, ZINC02383949, ACMC-209znl, SureCN3275836, AC1Q349W, CTK4A2445, MolPort-002-041-340, ANW-50479, AKOS004912416, MCULE-5279860443, QC-8057, RP06445, 6-Bromo-2-(ethoxylcarbonyl)-1H-indole, AK-27257

Molecular Formula:	C₁₁H₁₀BrNO₂	Molecular Weight:	268.106600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FVMZWWFKRMBNSZ-UHFFFAOYSA-N

• Furfurylamine

IUPAC Name: furan-2-ylmethanamine | CAS Registry Number: 617-89-0
Synonyms: 2-Furfurylamine, 2-Furanmethylamine, alpha-Furfurylamine, 2-FURANMETHANAMINE, 2-(Aminomethyl)furan, 2-Aminomethylfuran, 2-Furylmethylamine, (2-Furylmethyl)amine, .alpha.-Furfurylamine, USAF Q-1, Methylamine, 1-(2-furyl)-, WLN: T5OJ B1Z, F20009_ALDRICH, 48120_FLUKA, EINECS 210-536-9, CID3438, NSC 49136, NSC 61168, UN2526, AIDS108386

Molecular Formula:	C₅H₇NO	Molecular Weight:	97.115180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DDRPCXLAQZKBJP-UHFFFAOYSA-N

• Granisetron Base

IUPAC Name: 1-methyl-N-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide | CAS Registry Number: 109889-09-0
Synonyms: granisetron, Granisetron (USAN/INN), CID5284566, C07023, D04370, 1-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Molecular Formula:	C₁₈H₂₄N₄O	Molecular Weight:	312.409360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MFWNKCLOYSRHCJ-AGUYFDCRSA-N

• Imatinib Mesylate

IUPAC Name: methanesulfonic acid; 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide | CAS Registry Number: 220127-57-1
Synonyms: Imatinib mesylate, Gleevec, Glivec, Imatinib mesilate, Gleevac, Gleevec (TN), Glivec (TN), Imatinib Methansulfonate, imatinib methanesulfonate, Imatinib mesilate (JAN), sti-571, HSDB 7142, MLS001401456, STI571, CHEBI:31690, STI 571, CGP 57148B, GGP-57148B, CGP 53715, CGP-57148

Molecular Formula:	C₃₀H₃₅N₇O₄S	Molecular Weight:	589.708400 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	10

InChIKey: YLMAHDNUQAMNNX-UHFFFAOYSA-N

• Indole Derivatives

• Indole-2-Carboxylic Acid

IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• Indole-4-carboxaldehyde

IUPAC Name: 1H-indole-4-carbaldehyde | CAS Registry Number: 1074-86-8
Synonyms: 4-Formylindole, 1H-Indole-4-carbaldehyde, 1H-Indole-4-carboxaldehyde, 632422_ALDRICH, NSC337264, ALBB-004801, ZERO/008830, CID333703, ZINC01576624, F2311G1, TL8000263, I-2202

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N

• Indole-5-carboxaldehyde

IUPAC Name: 1H-indole-5-carbaldehyde | CAS Registry Number: 1196-69-6
Synonyms: 5-Formylindole, Indole-5-aldehyde, 1H-Indole-5-carbaldehyde, 513830_ALDRICH, ZINC02389301, BB_SC-4604, ALBB-004800, CID589040, F2137G1, I-2203

Molecular Formula:	C₉H₇NO	Molecular Weight:	145.157980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ADZUEEUKBYCSEY-UHFFFAOYSA-N

• Isopropanolamine

IUPAC Name: 1-aminopropan-2-ol | CAS Registry Number: 78-96-6
Synonyms: Threamine, Mipa, Monoisopropanolamine, 1-Aminopropan-2-ol, 2-Propanol, 1-amino-, 2-Hydroxypropanamine, 2-Hydroxypropylamine, aminopropanol, Mono-iso-propanolamine, 1-AMINO-2-PROPANOL, Amino-2-propanol, 1-Methyl-2-aminoethanol, 2-Amino-1-methylethanol, 2-Hydroxy-1-propylamine, 1-Amino-2-hydroxypropane, ()-Isopropanolamine, 1-amino-propan-2-ol, beta-Aminoisopropanol, D-1-amino-2-propanol, D-1-aminopropan-2-ol

Molecular Formula:	C₃H₉NO	Molecular Weight:	75.109660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N

• Lapatinib

IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine | CAS Registry Number: 231277-92-2
Synonyms: Tykerb, Lapatinib [INN], 1xkk, Lapatinib Ditosylate, nchembio866-comp20, Lapatinib tosilate hydrate, GW572016, CHEBI:49603, GSK 572016, GW 572016, CID208908, DB01259, NCGC00167507-01, LS-187029, LS-187771, FMM, N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine, N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-((2-methylsulfonylethylamino)methyl)-2-furyl)quinazolin-4-amine

Molecular Formula:	C₂₉H₂₆ClFN₄O₄S	Molecular Weight:	581.057543 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: BCFGMOOMADDAQU-UHFFFAOYSA-N

• Letrozole

IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile | CAS Registry Number: 112809-51-5
Synonyms: letrozole, Femara, Letrozol, Femera, F?mara, Femara (TN), Letrozole [USAN:INN], Prestwick0_001025, Prestwick1_001025, Prestwick2_001025, Prestwick3_001025, Novartis Brand of Letrozole, Letrozole (JAN/USP/INN), BSPBio_001209, MLS000759455, MLS001424038, SPBio_003070, CGS 20267, CGS-20267, BPBio1_001331

Molecular Formula:	C₁₇H₁₁N₅	Molecular Weight:	285.302740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: HPJKCIUCZWXJDR-UHFFFAOYSA-N

• Levetiracetam

IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula:	C₈H₁₄N₂O₂	Molecular Weight:	170.208960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Loteprednol Etabonate

IUPAC Name: chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate | CAS Registry Number: 82034-46-6
Synonyms: Loteprednol etabonate, Lotemax, Lenoxin, Loterox, Locort, Alrex, Lotemax (TN), HGP-1, MLS001424221, CDDD-5604, CHEBI:31784, Loteprednol etabonate (JAN/USAN), IDR-90102, IDR-90103, DB00873, NCGC00164594-01, CPD000469178, SAM001246630, SMR000469178, D01689

Molecular Formula:	C₂₄H₃₁ClO₇	Molecular Weight:	466.951740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: DMKSVUSAATWOCU-HROMYWEYSA-N

• Methyl Indole-4-Carboxylate (CAS: 39830-65-5)

• Methylindole-4-carboxylate

IUPAC Name: methyl 1H-indole-4-carboxylate | CAS Registry Number: 39830-66-5
Synonyms: Methyl indole-4-carboxylate, methyl 1H-indole-4-carboxylate, 273880_ALDRICH, ZINC00391098, ALBB-006376, CID2733668, M2157G1, ST5405901, TL8002872, I-2510

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WEAXQUBYRSEBJD-UHFFFAOYSA-N

• N,N-Dimethyl Cyclohexylamine

IUPAC Name: N,N-dimethylcyclohexanamine | CAS Registry Number: 98-94-2
Synonyms: Polycat 8, Cyclohexyldimethylamine, N-Cyclohexyldimethylamine, N,N-Dimethylcyclohexanamine, Cyclohexanamine, N,N-dimethyl-, (Dimethylamino)cyclohexane, Cyclohexylamine, N,N-dimethyl-, N,N-DIMETHYLCYCLOHEXYLAMINE, Dimethylaminocyclohexane, N,N-Dimethylaminocyclohexane, N,N-Dimethyl-N-cyclohexylamine, Dimethylcyclicsiloxane hydrolyzate, HSDB 5323, 290629_ALDRICH, 40070_FLUKA, EINECS 202-715-5, UN2264, WLN: L6TJ AN1 & 1, NSC 163904, BRN 1919922

Molecular Formula:	C₈H₁₇N	Molecular Weight:	127.227280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: SVYKKECYCPFKGB-UHFFFAOYSA-N

• N-Benzylmethylamine

IUPAC Name: N-methyl-1-phenylmethanamine | CAS Registry Number: 103-67-3
Synonyms: Benzylmethylamine, Methylbenzylamine, Benzylamine der, N-METHYLBENZYLAMINE, Benzenemethanamine, N-methyl-, Benzylamine, N-methyl-, Benzyl(methyl)amine, N-Methy-N-benzylamine, N-Benzyl-N-methylamine, Spectrum_001362, Spectrum4_001764, Spectrum5_000347, N-methyl-1-phenylmethanamine, BENZYLAMINE, N-METHYL, B25606_ALDRICH, KBioGR_002247, KBioSS_001842, Benzylamine, N-methyl- (8CI), KBio2_001842, KBio2_004410

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

InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N

• N-ETHYLBENZYLAMINE (CAS: 14321-17-8)

• N-Methylcyclohexylamine

IUPAC Name: N-methylcyclohexanamine | CAS Registry Number: 100-60-7
Synonyms: Cyclohexylmethylamine, Methylcyclohexylamine, N-Cyclohexylmethylamine, Cyclohexanamine, N-methyl-, Cyclohexylamine, N-methyl-, N-Methylcyclohexanamine, N-METHYLCYCLOHEXYLAMINE, Cyclohexyl(methyl)amine, (Methylamino)cyclohexane, N-Methyl-N-cyclohexylamine, N-Metyhcyclohexylamine, NSC 434, 103322_ALDRICH, NSC434, EINECS 202-869-3, BRN 1523664, SBB004314, AI3-16733, LS-57643, TL8000058

Molecular Formula:	C₇H₁₅N	Molecular Weight:	113.200700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XTUVJUMINZSXGF-UHFFFAOYSA-N

• Nimustine

IUPAC Name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea | CAS Registry Number: 42471-28-3
Synonyms: Nimustin, NIMUSTINE, Nimustine [INN], ACNU, Nimustine hydrochloride, Nimustinum [INN-Latin], Nimustina [INN-Spanish], Spectrum_000389, SpecPlus_000878, Spectrum2_000877, Spectrum3_001632, Spectrum4_000599, Spectrum5_001510, Lopac-N-8659, CCRIS 2751, C9H15ClN6O2, Lopac0_000820, BSPBio_003323, KBioGR_001098, KBioSS_000869

Molecular Formula:	C₉H₁₃ClN₆O₂	Molecular Weight:	272.691520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VFEDRRNHLBGPNN-UHFFFAOYSA-N

• O,O'-Di-p-toluoyl-L-Tartaric acid Anhydrous

IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid | CAS Registry Number: 32634-66-5
Synonyms: MLS001359842, (+)-di-O-4-Toluoyl-D-tartaric acid, (-)-Di-p-toluoyl-L-tartaric acid, EINECS 251-131-7, EINECS 251-132-2, NSC 97592, SBB008742, (+)-di-O,O'-p-Toluyl-D-tartaric acid, SMR001224381, 2,3-Bis[(4-methylbenzoyl)oxy]succinic acid, (R(R*,R*))-2,3-Bis((4-methylbenzoyl)oxy)succinic acid, (S(R*,R*))-2,3-Bis((4-methylbenzoyl)oxy)succinic acid, Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (2S,3S)-, Butanedioic acid, 2,3-bis((4-methylbenzoyl)oxy)-, (R-(R*,R*))-, Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [R-(R*,R*)]-, 104695-67-2, 131774-02-2, 139159-61-8, 32634-68-7, 47375-16-6

Molecular Formula:	C₂₀H₁₈O₈	Molecular Weight:	386.352120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: CMIBUZBMZCBCAT-UHFFFAOYSA-N

• Palonosetron HCL

IUPAC Name: (3aS)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one;hydrochloride | CAS Registry Number: 135729-75-8
Synonyms: Palonosetron hydrochloride, SureCN4054459, Bio-0138, CHEMBL545717, (S,R)-Palonosetron Hydrochloride, H672, (3aS)-2-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one Hydrochloride, 135729-76-9

Molecular Formula:	C₁₉H₂₅ClN₂O	Molecular Weight:	332.867600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OLDRWYVIKMSFFB-KALLACGZSA-N

• Pyridine Derivatives

• Raltitrexed

IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid | CAS Registry Number: 112887-68-0
Synonyms: Tomudex, 2kce, 2tsr, Tomudex (TN), ICI D1694, ZD1694, ICI-D1694, MLS001424225, Raltitrexed (JAN/USAN/INN), STOCK6S-47020, C21H22N4O6S, 1i00, AIDS106596, ICI-D-1694, AIDS-106596, ZD 1694, ZD-1694, ZN-D1694, CID104758, NSC639186

Molecular Formula:	C₂₁H₂₂N₄O₆S	Molecular Weight:	458.487580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N

• Rocuronium Bromide

IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-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: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula:	C₃₂H₅₃BrN₂O₄	Molecular Weight:	609.678220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• Sorafenib

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide | CAS Registry Number: 284461-73-0
Synonyms: Nexavar, sorafenibum, Sorafenib tosylate, Sorafenib [INN], nchembio.117-comp17, STOCK6S-50043, CHEBI:50924, K00597a, BAY 43-9006, BAY 439006, DB00398, NSC-724772, BAY-43-0006, BAY-43-9006, BAY-54-9085, NCGC00167488-01, LS-186067, LS-187021, LS-187788, N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

Molecular Formula:	C₂₁H₁₆ClF₃N₄O₃	Molecular Weight:	464.824950 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

• Temozolomide

IUPAC Name: 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide | CAS Registry Number: 85622-93-1
Synonyms: temozolomide, Methazolastone, Temodal, Temodar, Temozolamide, Temozolomidum [Latin], Temozolodida [Spanish], Temodal (TN), Temozolomide [BAN:INN], Temozolomide [INN:BAN], Essex brand of temozolomide, CCRG 81045, CCRG-81045, Sch 52365, MLS000759447, MLS001424028, Schering brand of temozolomide, C6H6N6O2, CCRIS 8996, Temozolomide (JAN/USAN/INN)

Molecular Formula:	C₆H₆N₆O₂	Molecular Weight:	194.150840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BPEGJWRSRHCHSN-UHFFFAOYSA-N

• Vatalanib

IUPAC Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine | CAS Registry Number: 212141-54-3
Synonyms: nchembio778-comp1, PTK/ZK, Vatalanib (USAN/INN), Ptk 787, CGP 79787, PTK-787, CGP-797870, ZK-232934, LS-187006, LS-187641, D06285, N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine, 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine succinate, 1-Phtalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phtalazin-1-amine

Molecular Formula:	C₂₀H₁₅ClN₄	Molecular Weight:	346.812900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: YCOYDOIWSSHVCK-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:	C₃₄H₅₇BrN₂O₄	Molecular Weight:	637.731380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: VEPSYABRBFXYIB-PWXDFCLTSA-M

• (S)-(-)-1,1'-Bi(2-naphthol),[(S)-BINOL]

IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol | CAS Registry Number: 18531-99-2
Synonyms: 1,1'-Bi-2-naphthol, (S)-(-)-1,1'-Bi-2-naphthol, 18531-94-7, 602-09-5, 2,2'-Dinaphthol, binol, (R)-(+)-1,1'-Bi-2-naphthol, beta-Binaphthol, 1,1'-Binaphthyl-2,2'-diol, (S)-BINOL, (R)-1,1'-Bi-2-naphthol, 1,1'-Bis-2-naphthol, 2,2'-Dihydroxydinaphthyl, Chiral binaphthol, 2,2'-Dihydroxy-1,1'-binaphthyl, 2,2'-Dihydroxy-1,1'-dinaphthyl, Bis-beta-naphthol, 2,2'-Dihydroxybinaphthalene, s-(-)-1,1'-bi-2-naphthol, [1,1'-Binaphthalene]-2,2'-diol

Molecular Formula:	C₂₀H₁₄O₂	Molecular Weight:	286.323960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PPTXVXKCQZKFBN-UHFFFAOYSA-N

• (R)-(-)-Propanediol

IUPAC Name: (2R)-propane-1,2-diol | CAS Registry Number: 4254-14-2
Synonyms: (R)-Propylene glycol, D-1,2-propanediol, (R)-1,2-Propanediol, R-1,2-PROPANEDIOL, (R)-Propane-1,2-diol, 2,3-PROPANDIOL, (2R)-propane-1,2-diol, 540242_ALDRICH, 82284_FLUKA, CHEBI:28972, CID1030, CPD-8891, NSC90793, ZINC00895318, (R)-(−)-Propylene glycol, (R)-(−)-Propylene glycerol, (R)-(−)-1,2-Propanediol, TL8003024, C02912, PGR

Molecular Formula:	C₃H₈O₂	Molecular Weight:	76.094420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N

• 4-Bromoindole

IUPAC Name: 4-bromo-1H-indole | CAS Registry Number: 52488-36-5
Synonyms: 524336_ALDRICH, ZINC00039644, CID676494, B2073G1, ST5331239, TL8001555, B-8400, B-8404

Molecular Formula:	C₈H₆BrN	Molecular Weight:	196.043940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GRJZJFUBQYULKL-UHFFFAOYSA-N

• 1,2-Diaminocyclohexane, mixture of isomers

IUPAC Name: cyclohexane-1,2-diamine | CAS Registry Number: 694-83-7
Synonyms: 1,2-Cyclohexanediamine, 1,2-Cylohexanediamine, cis-1,2-Cyclohexanediamine, 1,2-DIAMINOCYCLOHEXANE, cis-1,2-Cyclohexandiamine, Cyclohex-1,2-ylenediamine, trans-1,2-Cyclohexanediamine, cyclohexane-1,2-diamine, trans-1,2-Cyclohexaneiamine, HSDB 5748, 132551_ALDRICH, 293962_ALDRICH, (+)-S,S-1,2-Diaminocyclohexane, EINECS 211-776-7, CID4610, (1S,2S)-(+)-1,2-Diaminocyclohexane, (-)-R,R-1,2-Diaminocyclohexane, BRN 0506142, NSC362640, NSC362641

Molecular Formula:	C₆H₁₄N₂	Molecular Weight:	114.188760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: SSJXIUAHEKJCMH-UHFFFAOYSA-N

• 4-Chloroindole

IUPAC Name: 4-chloro-1H-indole | CAS Registry Number: 25235-85-2
Synonyms: 4-Chloro-1H-indole, 1H-Indole, 4-chloro-, 246220_ALDRICH, ALBB-006049, NSC88141, EINECS 246-747-8, NSC 88141, SBB004057, ZINC00407089, C2290G1, TL806304, C-4200

Molecular Formula:	C₈H₆ClN	Molecular Weight:	151.592940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SVLZRCRXNHITBY-UHFFFAOYSA-N

• 4-Fluorobenzylamine

IUPAC Name: (4-fluorophenyl)methanamine | CAS Registry Number: 140-75-0
Synonyms: 1tnh, p-Fluorobenzylamine, Benzylamine, p-fluoro-, Benzenemethanamine, 4-fluoro-, 162493_ALDRICH, Benzylamine, p-fluoro- (8CI), EINECS 205-430-4, NSC158269, NSC 158269, F117, ST5213775, TL8000911

Molecular Formula:	C₇H₈FN	Molecular Weight:	125.143523 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IIFVWLUQBAIPMJ-UHFFFAOYSA-N

• 5-Methoxyindole-3-Aldehyde

IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde | CAS Registry Number: 10601-19-1
Synonyms: 3-Formyl-5-methoxyindole, Oprea1_121493, M14943_ALDRICH, 5-Methoxyindole-3-carboxaldehyde, MLS000575461, 5-Methoxyindole-3-carbaldehyde, ZERO/005117, NSC521754, CID82758, 5-Methoxy-1H-indole-3-carbaldehyde, EINECS 234-220-5, ZINC00286557, 1H-Indole-3-carboxaldehyde, 5-methoxy-, SMR000184711, TL8000226, M-3490

Molecular Formula:	C₁₀H₉NO₂	Molecular Weight:	175.183960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N

• 5-Bromoindole-2-carboxylic acid ethyl ester

IUPAC Name: ethyl 5-bromo-1H-indole-2-carboxylate | CAS Registry Number: 16732-70-0
Synonyms: Oprea1_577377, NSC88620, CID259091, ZINC01509173, FA-0732, TL8001293, B-8720

Molecular Formula:	C₁₁H₁₀BrNO₂	Molecular Weight:	268.106600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LWRLKENDQISGEU-UHFFFAOYSA-N

• 7-Nitroindole

IUPAC Name: 7-nitro-1H-indole | CAS Registry Number: 6960-42-5
Synonyms: 7-Nitro-1H-indole, 1H-Indole, 7-nitro-, INDOLE, 7-NITRO-, nchembio873-comp34, 7-Nitro-1H-indazole, 638854_ALDRICH, 1H-Indole, 7-nitro- (9CI), NSC 69874, NSC69874, BRN 0130874, SBB003947, STK249657, ZINC01695861, LS-83316, TL806417, N-3040, 5-20-07-00044 (Beilstein Handbook Reference)

Molecular Formula:	C₈H₆N₂O₂	Molecular Weight:	162.145440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LZJGQIVWUKFTRD-UHFFFAOYSA-N

• 4-Bromoindole-3-carboxaldehyde

IUPAC Name: 4-bromo-1H-indole-3-carbaldehyde | CAS Registry Number: 98600-34-1
Synonyms: 4-Bromo-3-formylindole, ZINC02563719, SBB005308, B2058G1, CID2763178

Molecular Formula:	C₉H₆BrNO	Molecular Weight:	224.054040 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IPAFHZDRYAWZOB-UHFFFAOYSA-N