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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• Metrizamide

IUPAC Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide | CAS Registry Number: 31112-62-6
Synonyms: metrizamide, Amipaque, Amipaque (TN), Prestwick3_000463, BSPBio_000566, MLS002153823, Metrizamide (JAN/USAN/INN), BPBio1_000624, STOCK1N-16357, DB01578, NCGC00179520-01, SMR001233191, AB00513843, D01311, 2-[({3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodophenyl}carbonyl)amino]-2-deoxy-D-glucopyranose, 3-acetamido-5-(acetyl-methylamino)-2,4,6-triiodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide

Molecular Formula:	C₁₈H₂₂I₃N₃O₈	Molecular Weight:	789.095990 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: BAQCROVBDNBEEB-UBYUBLNFSA-N

• Metsulfuron-methyl

IUPAC Name: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate | CAS Registry Number: 74223-64-6
Synonyms: Metsulfuron methyl, Granstar, Gropper, Escort, Allie, Brush-off, ALLY, Metsulfuron-Me, METSULFURON-METHYL, Escort (pesticide), Metsulphuron methyl, Caswell No. 419H, TRIBENURON-METHYL, ALLY 20DF, HCHA 92HA, PS1078_SUPELCO, Oprea1_737469, CBDivE_002527, HSDB 6849, Metsulfuron methyl ester [ANSI]

Molecular Formula:	C₁₄H₁₅N₅O₆S	Molecular Weight:	381.363800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-N

• Mifepristone

IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 84371-65-3
Synonyms: mifepristone, Mifeprex, Mifegyne, Mifepriston, Pictovir, Corlux, Mifepristonum [Latin], Mifepristona [Spanish], Mifeprex (TN), Prestwick_570, RU-486, Prestwick0_000299, Prestwick1_000299, Prestwick2_000299, Prestwick3_000299, Spectrum5_002045, RU486, Mifepristone (USAN/INN), Lopac0_000801, BSPBio_000238

Molecular Formula:	C₂₉H₃₅NO₂	Molecular Weight:	429.593700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-N

• Miglitol

IUPAC Name: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 72432-03-2
Synonyms: MIGLITOL, Glyset, Diastabol, Plumarol, Seibule, Glyset (TN), Bay-m-1099, Miglitol (JAN/USAN/INN), MLS000759514, MLS001424128, SK-983, DB00491, CPD000466381, SAM001246745, SMR000466381, C07708, D00625, (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol

Molecular Formula:	C₈H₁₇NO₅	Molecular Weight:	207.224280 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: IBAQFPQHRJAVAV-ULAWRXDQSA-N

• Mitoxantrone

IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione | CAS Registry Number: 65271-80-9
Synonyms: mitoxantrone, Mitoxanthrone, Mitoxantron, Mitozantrone, Novantron, Dihydroxyanthraquinone, Novantrone, DHAQ, Mitox, Mitoxantrone HCl, 2fum, Mitoxantrone 2HCl, Mitoxantrone [INN], DHAD, DHAQ HCl, Mitoxantronum [INN-Latin], Mitoxantrona [INN-Spanish], Spectrum_001655, Mitoxantrone hydrochloride, Mitozantrone hydrochloride

Molecular Formula:	C₂₂H₂₈N₄O₆	Molecular Weight:	444.480920 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	10

InChIKey: KKZJGLLVHKMTCM-UHFFFAOYSA-N

• Moclobemide

IUPAC Name: 4-chloro-N-(2-morpholin-4-ylethyl)benzamide | CAS Registry Number: 71320-77-9
Synonyms: moclobemide, Aurorix, Moclamine, Moclobemid, Moclobamide, Manerix, Deprenorm, Moclaime, Moclamide, Moclobeta, Moclodura, Moclonorm, Aurorex, Feraken, NovoMoclobemide, Moclix, NuMoclobemide, Arima, Rimoc, Apo Moclobemide

Molecular Formula:	C₁₃H₁₇ClN₂O₂	Molecular Weight:	268.739280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YHXISWVBGDMDLQ-UHFFFAOYSA-N

• Mon-Sec-Butylamine

IUPAC Name: butan-2-amine | CAS Registry Number: 13952-84-6
Synonyms: 2-Butanamine, Deccotane, Butafume, Frucote, Tutane, SEC-BUTYLAMINE, 2-Aminobutane, 2-Butylamine, 1-Methylpropanamine, 1-Methylpropylamine, 2-Aminobutane base, butan-2-amine, S-2-Butylamine, Butylamine [ISO], sec-Butylamine, (S)-, (S)-sec-Butylamine, (S)-2-Aminobutane, (+)-2-Butylamine, (RS)-sec-Butylamine, Caswell No. 125

Molecular Formula:	C₄H₁₁N	Molecular Weight:	73.136840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BHRZNVHARXXAHW-UHFFFAOYSA-N

• Mono Chlorobenzoic Acid

IUPAC Name: 2-chlorobenzoic acid | CAS Registry Number: 118-91-2
Synonyms: 2-Chlorobenzoic acid, O-CHLOROBENZOIC ACID, Benzoic acid, o-chloro-, 2-Chlorobenzoate, Benzoic acid, 2-chloro-, 2-Cba, Kyselina o-chlorbenzoova, WLN: QVR BG, oO-CHLOROBENZOIC ACID, CCRIS 5993, NCIOpen2_004799, HSDB 6017, Kyselina o-chlorbenzoova [Czech], 135577_ALDRICH, 506877_SUPELCO, CHEBI:30793, EINECS 204-285-4, NSC 15042, AIDS018017, AIDS-018017

Molecular Formula:	C₇H₅ClO₂	Molecular Weight:	156.566400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IKCLCGXPQILATA-UHFFFAOYSA-N

• Monoglyme-Ethylene Glycol Dimethyl Ether

IUPAC Name: 1,2-dimethoxyethane | CAS Registry Number: 110-71-4
Synonyms: Monoglyme, Glyme, Egdme, 2,5-Dioxahexane, Dimethyl Cellosolve, 1,2-DIMETHOXYETHANE, Dimethoxyethane, Dimethylglycol, Dimethylcellosolve, Ethane, 1,2-dimethoxy-, Hisolve MMM, mono-Glyme, Glycol dimethyl ether, Ansul ether 121, Ethylene dimethyl ether, DME (glycol ether), Ethylene glycol dimethyl ether, 1,2-Dimethoxyethan, Ethylenglycoldimethylether, Ethylenglykoldimethylether

Molecular Formula:	C₄H₁₀O₂	Molecular Weight:	90.121000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

• Myristyl Bromide

IUPAC Name: 1-bromotetradecane | CAS Registry Number: 112-71-0
Synonyms: Myristyl bromide, 1-Bromotetradecane, Tetradecyl bromide, Tetradecane, 1-bromo-, n-Tetradecyl bromide, 1-Tetradecyl bromide, n-Tetradecyl-1-bromide, 1-BROMO-N-TETRADECANE, 195332_ALDRICH, 18390_FLUKA, CID8208, NSC83468, EINECS 203-999-3, NSC 83468

Molecular Formula:	C₁₄H₂₉Br	Molecular Weight:	277.284060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: KOFZTCSTGIWCQG-UHFFFAOYSA-N

• N, N'-Bis-(Trimethylsilyl)Urea(BSU)

IUPAC Name: 1,3-bis(trimethylsilyl)urea | CAS Registry Number: 18297-63-7
Synonyms: Bis(trimethylsilyl)urea, 1,3-Bis(trimethylsilyl)urea, Urea, N,N'-bis(trimethylsilyl)-, N,N'-Bis(trimethylsilyl)urea, Urea, 1,3-bis(trimethylsilyl)-, 226106_ALDRICH, 15248_FLUKA, CID87562, EINECS 242-177-9, 127290-39-5, BSU

Molecular Formula:	C₇H₂₀N₂OSi₂	Molecular Weight:	204.417500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: MASDFXZJIDNRTR-UHFFFAOYSA-N

• N,6-Dimethyl-4-methoxy-1,3,5-triazin-2-ylamine

IUPAC Name: 4-methoxy-N,6-dimethyl-1,3,5-triazin-2-amine | CAS Registry Number: 5248-39-5
Synonyms: 549843_ALDRICH, DPX-L5296, BRN 0609147, STK330617, ZINC00404123, EE4013605, LS-154972, 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine, 1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-, 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-ylamine, 5-26-09-00408 (Beilstein Handbook Reference), 2-Methoxy-4-methyl-6-(methylamino)-1,3,5-triazine, 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-ylamin [Danish], 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-ylamin [German], 4-Methoxy-N,6-dimethyl-1,3,5-triazine-2-ylamine [Dutch], 4-Metoxi-N,6-dimetil-1,3,5-triazin-2-ilamina [Spanish], 4-Methoxy-N,6-dimethyl-1,3,5-triazine-2-ylamine [French], 4-Metossi-N,6-dimetil-1,3,5-triazin-2-ilammina [Italian], 4-Metoxi-N,6-dimetil-1,3,5-triazin-2-ilamina [Portuguese]

Molecular Formula:	C₆H₁₀N₄O	Molecular Weight:	154.169800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: MNDSUSQBIDHEJU-UHFFFAOYSA-N

• N,N-Bis(2-Chloroethyl)carbamoyl Chloride

IUPAC Name: N,N-bis(2-chloroethyl)carbamoyl chloride | CAS Registry Number: 2998-56-3
Synonyms: Bis(2-chloroethyl)carbamoyl chloride, EINECS 221-075-8, TL 460, CID76346, NSC73023, BRN 1765484, Carbamic chloride, bis(2-chloroethyl)-, Carbamoyl chloride, bis(2-chloroethyl)-, LS-50718, 3-04-00-00245 (Beilstein Handbook Reference)

Molecular Formula:	C₅H₈Cl₃NO	Molecular Weight:	204.482120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JAHXVUPWHXMPLG-UHFFFAOYSA-N

• N-(((4-(2-Chloro-4-(TRIFLUOROMETHYL)phenoxy)-2-Fluorophenyl)amino)carbonyl)-2,6-Difluorobenzamide

IUPAC Name: N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide | CAS Registry Number: 101463-69-8
Synonyms: Flufenoxuron, Cascade, Flufenoxuron [ISO], CHEBI:39382, MolPort-003-933-646, CID91766, ZINC02564891, WL 115110, LS-26232, N-((4-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide, Benzamide, N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluoro-, N-(((4-(2-chloro-4-(trifluoromethyl)phenoxy)-2-fluorophenyl)amino)carbonyl)-2,6-difluorobenzamide, N-({4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}carbamoyl)-2,6-difluorobenzamide

Molecular Formula:	C₂₁H₁₁ClF₆N₂O₃	Molecular Weight:	488.767059 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: RYLHNOVXKPXDIP-UHFFFAOYSA-N

• N-(1-Adamantyl)acetamide

IUPAC Name: N-(1-adamantyl)acetamide | CAS Registry Number: 880-52-4
Synonyms: 1-Acetamidoadamantane, 1-Adamantylacetamide, N-1-Adamantylacetamide, Acetamide, N-1-adamantyl-, 1-Acetamino adamantane, Ambap5974, Acetamide, N-(1-adamantyl)-, 137103_ALDRICH, EINECS 212-914-9, AIDS211778, NSC 527917, AIDS-211778, BRN 2098306, NSC527917, ZINC03860730, LS-8000, N-Tricyclo(3.3.1.13,7)dec-1-ylacetamide, Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-, Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-, 4-12-00-00220 (Beilstein Handbook Reference)

Molecular Formula:	C₁₂H₁₉NO	Molecular Weight:	193.285360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N

• N-(2-Aminoethyl)-3-Aminopropyltrimethoxysilane

IUPAC Name: N-(3-trimethoxysilylpropyl)ethane-1,2-diamine | CAS Registry Number: 1760-24-3
Synonyms: en-APTAS, Silicone A-1120, Prosil 3128, AAS-M, Dow corning Z-6020 silane, NUCA 1120, Dow Corning product Z-6020, Dow Corning product Z-6094, KBM 603, 104884_ALDRICH, 440302_ALDRICH, GF 91, EINECS 217-164-6, AP 132, SH 6020, BRN 0636230, 3-(2-Aminoethylamino)propyltrimethoxysilane, N-(3-Trimethoxysilylpropyl)-ethylenediamine, N-(3-(Trimethoxysilyl)propyl)ethylenediamine, NCGC00164238-01

Molecular Formula:	C₈H₂₂N₂O₃Si	Molecular Weight:	222.357380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PHQOGHDTIVQXHL-UHFFFAOYSA-N

• N-[3-Butanone(2)]-phthalimide

IUPAC Name: 2-(3-oxobutan-2-yl)isoindole-1,3-dione | CAS Registry Number: 2028-33-3
Synonyms: 2-(3-oxobutan-2-yl)isoindole-1,3-dione, SureCN8977751, AGN-PC-00K1O4, MolPort-008-825-738, MCULE-1870515101, A814377, 2-(3-oxidanylidenebutan-2-yl)isoindole-1,3-dione, 2-(3-OXOBUTAN-2-YL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONE

Molecular Formula:	C₁₂H₁₁NO₃	Molecular Weight:	217.220640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NKPDEEQLUDNJPD-UHFFFAOYSA-N

• N-Acetyl Morpholine

IUPAC Name: 1-morpholin-4-ylethanone | CAS Registry Number: 1696-20-4
Synonyms: 4-Acetylmorpholine, Morpholine, 4-acetyl-, N-ACETYLMORPHOLINE, N-Acetylmorfolin [Czech], N-ACETYL MORPHOLINE, A18834_ALDRICH, WLN: T6N DOTJ AV1, NSC 2764, EINECS 216-913-4, NSC2764, AIDS018661, AIDS-018661, BRN 0111971, ZINC00404270, AI3-02844, LS-92386, 4-27-00-00274 (Beilstein Handbook Reference), InChI=1/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H, 140864-97-7

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.157040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KYWXRBNOYGGPIZ-UHFFFAOYSA-N

• N-Carbethoxy-4-piperidone

IUPAC Name: ethyl 4-oxopiperidine-1-carboxylate | CAS Registry Number: 29976-53-2
Synonyms: 1-Carbethoxy-4-piperidone, 1-Ethoxycarbonyl-4-piperidone, Ethyl 4-oxo-1-piperidinecarboxylate, 153737_ALDRICH, 1-Ethoxycarbonyl-4-piperidinone, N-Ethoxycarbonyl-4-piperidinone, 1-Ethoxycarbonyl-4-oxopiperidine, 1-(Ethoxycarbonyl)-4-piperidone, EINECS 249-984-5, Ethyl 4-oxopiperidine-1-carboxylate, NSC139022, ZINC00155166, TL806188, ST5308494, 1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester, 4-Oxo-1-piperidinecarboxylic acid ethyl ester, T-000509

Molecular Formula:	C₈H₁₃NO₃	Molecular Weight:	171.193720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LUBGFMZTGFXIIN-UHFFFAOYSA-N

• N-Cetyl Bromide

IUPAC Name: 1-bromohexadecane | CAS Registry Number: 112-82-3
Synonyms: Cetyl bromide, Hexadecyl bromide, n-Hexadecyl bromide, Hexadecane, 1-bromo-, 1-Hexadecyl bromide, 1-BROMOHEXADECANE, n-Hexadecyl-1-bromide, 234451_ALDRICH, CID8213, NSC4193, NSC 4193, EINECS 204-008-7, AI3-11181, ST5410268

Molecular Formula:	C₁₆H₃₃Br	Molecular Weight:	305.337220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HNTGIJLWHDPAFN-UHFFFAOYSA-N

• N-Chloracetyl-2,6-Dimethylaniline

IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)acetamide | CAS Registry Number: 1131-01-7
Synonyms: 2-Chloro-2',6'-acetoxylidide, Chloroaceto-2,6-xylidide, Chloroacetamido-2,6-xylidine, N-Chloroacetyl-2,6-dimethylaniline, 2-Chloroaceto-2,6-xylidide, 194921_ALDRICH, 2-Chloro-2',6'-dimethylacetanilide, 2',6'-Acetoxylidide, 2-chloro-, 2-Chloro-N-(2,6-dimethylphenyl)acetamide, ALBB-002265, NSC37260, 1-Chloroacetylamino-2,6-dimethylbenzene, EINECS 214-460-7, alpha-Chloro-2,6-dimethylacetanilide, NSC 37260, SBB003566, ZINC00073753, 2',6'-Acetoxylidide, 2-chloro- (8CI), Acetamide, 2-chloro-N-(2,6-dimethylphenyl)-, InChI=1/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13

Molecular Formula:	C₁₀H₁₂ClNO	Molecular Weight:	197.661380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FPQQSNUTBWFFLB-UHFFFAOYSA-N

• N-Ethyl-2-Aminomethyl Pyrrolidine

IUPAC Name: (1-ethylpyrrolidin-2-yl)methanamine | CAS Registry Number: 26116-12-1
Synonyms: 655600_ALDRICH, 2-Pyrrolidinemethanamine, 1-ethyl-, STOCK2S-44672, 1-Ethylpyrrolidin-2-ylmethylamine, 2-(Aminomethyl)-1-ethylpyrrolidine, ALBB-006027, (1-ethylpyrrolidin-2-yl)methylamine, EINECS 247-466-3, Pyrrolidine, 2-(aminomethyl)-1-ethyl-, (1-Ethyl-2-pyrrolidinyl)methanamine, (R)-(1-Ethyl-2-pyrrolidinyl)methylamine

Molecular Formula:	C₇H₁₆N₂	Molecular Weight:	128.215340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N

• N-Hexyl Bromide

IUPAC Name: 1-bromohexane | CAS Registry Number: 111-25-1
Synonyms: n-Hexyl bromide, Hexyl bromide, Bromohexane, 1-BROMOHEXANE, Hexane, 1-bromo-, 1-Hexyl bromide, NCIOpen2_000490, B68240_ALDRICH, EINECS 203-850-2, NSC 71206, NSC71206, AI3-28588, LS-75012, InChI=1/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H, 25495-91-4

Molecular Formula:	C₆H₁₃Br	Molecular Weight:	165.071420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MNDIARAMWBIKFW-UHFFFAOYSA-N

• N-Methyl Piperazine

IUPAC Name: 1-methylpiperazine | CAS Registry Number: 109-01-3
Synonyms: N-Methylpiperazine, 1-Methylpiperazine, 4-Methylpiperazine, N'-Methylpiperazine, PIPERAZINE, 1-METHYL-, 1-Methyl-piperazine, nchembio.87-comp44, N-METHYL-PIPERAZINE, CCRIS 6686, WLN: T6M DNTJ D1, 130001_ALDRICH, 14549_FLUKA, 68810_FLUKA, EINECS 203-639-5, NSC 30195, NSC30195, NSC30675, BRN 0102724, AI3-25360, LS-112841

Molecular Formula:	C₅H₁₂N₂	Molecular Weight:	100.162180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PVOAHINGSUIXLS-UHFFFAOYSA-N

• N-Methylpyrrole-2-Acetonitrile

IUPAC Name: 2-(1-methylpyrrol-2-yl)acetonitrile | CAS Registry Number: 24437-41-0
Synonyms: 1-Methyl-2-pyrroleacetonitrile, N-Methylpyrrol-2-ylacetonitrile, Pyrrole-2-acetonitrile, 1-methyl-, ZINC02242708, 1H-Pyrrole-2-acetonitrile, 1-methyl-, CID90501, EINECS 246-248-5, (1-Methyl-1H-pyrrol-2-yl)acetonitrile, InChI=1/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H

Molecular Formula:	C₇H₈N₂	Molecular Weight:	120.151820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ROSYAUHHRKAPHX-UHFFFAOYSA-N

• N-Octyl Bromide

IUPAC Name: 1-bromooctane | CAS Registry Number: 111-83-1
Synonyms: n-Octyl bromide, 1-Bromooctane, Octyl bromide, 1-Octylbromide, Octane, 1-bromo-, 1-BROMO-N-OCTANE, WLN: E8, 152951_ALDRICH, NSC 9821, 01084_FLUKA, EINECS 203-912-9, NSC9821, AI3-15807, LS-97846, ST5214522

Molecular Formula:	C₈H₁₇Br	Molecular Weight:	193.124580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N

• Naftopidil

IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol | CAS Registry Number: 57149-07-2
Synonyms: naftopidil, Flivas, Avishot, Naftopidil [INN], Naftopidilum [Latin], Flivas (TN), Naftopidil (unspecified), Naftopidil (JAN/INN), Prestwick0_000975, Prestwick1_000975, Prestwick2_000975, Prestwick3_000975, Lopac0_000941, BSPBio_001009, MLS000759459, MLS001424117, SPBio_002920, KT-611, BPBio1_001111, NAFTOPIDIL DIHYDROCHLORIDE

Molecular Formula:	C₂₄H₂₈N₂O₃	Molecular Weight:	392.490720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: HRRBJVNMSRJFHQ-UHFFFAOYSA-N

• Naphthyl glycidyl ether

IUPAC Name: 2-(naphthalen-1-yloxymethyl)oxirane | CAS Registry Number: 2461-42-9
Synonyms: 1-Naphthyl glycidyl ether, Glycidyl 1-naphthyl ether, ((Naphthyloxy)methyl)oxirane, CCRIS 2069, NSC 632, NSC632, EINECS 219-555-7, Ether, 2,3-epoxypropyl 1-naphthyl, Naphthalene, 1-(2,3-epoxypropoxy)-, Oxirane, ((1-naphthalenyloxy)methyl)-, BRN 0160552, 3-(1-Naphthoxy)-1,2-epoxypropane, Oxirane, [(1-naphthalenyloxy)methyl]-, LS-94674, 1,2-EPOXY-3-(1-NAPHTHYLOXY)PROPANE, 5-17-03-00019 (Beilstein Handbook Reference)

Molecular Formula:	C₁₃H₁₂O₂	Molecular Weight:	200.233180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QYYCPWLLBSSFBW-UHFFFAOYSA-N

• Naproxen

IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | CAS Registry Number: 22204-53-1
Synonyms: NAPROXEN, Equiproxen, Laraflex, Calosen, Reuxen, Bonyl, Axer, d-Naproxen, Novonaprox, Rheumaflex, Saritilron, Acusprain, Anexopen, Arthrisil, Artrixen, Artroxen, Bipronyl, Clinosyn, Danaprox, Flexipen

Molecular Formula:	C₁₄H₁₄O₃	Molecular Weight:	230.259160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: CMWTZPSULFXXJA-VIFPVBQESA-N

• Niclosamide

IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide | CAS Registry Number: 50-65-7
Synonyms: niclosamide, Niclocide, Bayluscid, Devermine, Dichlosale, Helmiantin, Tredemine, Cestocid, Devermin, Mansonil, Phenasal, Radeverm, Vermitid, Vermitin, Atenase, Fenasal, Iomesan, Iomezan, Sagimid, Yomesan

Molecular Formula:	C₁₃H₈Cl₂N₂O₄	Molecular Weight:	327.119620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N

• Nicomol

IUPAC Name: [2-hydroxy-1,3,3-tris(pyridine-3-carbonyloxymethyl)cyclohexyl]methyl pyridine-3-carboxylate | CAS Registry Number: 27959-26-8
Synonyms: Cholexamine, Cholexamin, Nicomolum, Cholexamin (TN), K 31 (pharmaceutical), Nicomolum [INN-Latin], Nicomol [INN:JAN], Nicomol (JP15/INN), K 31, EINECS 248-748-9, AIDS001607, C34H32N4O9, AIDS-001607, CID34081, BRN 0469260, LS-96615, 2,2,6,6-Tetrakis(nicotinoyloxymethyl)cyclohexanol, D01291, Tetranicotinic acid 2-hydroxycyclohexa-1,1,3,3-tetramethyl ester, 2-Hydroxycyclohexane-1,1,3,3-tetramethanol tetraester with nicotinic acid

Molecular Formula:	C₃₄H₃₂N₄O₉	Molecular Weight:	640.639280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	13

InChIKey: VRAHPESAMYMDQI-UHFFFAOYSA-N

• Nicosulfuron

IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide | CAS Registry Number: 111991-09-4
Synonyms: Motivell, Milagro, Accent, Nicosulphuron, Accent (herbicide), Accent (pesticide), DPX-V9636, SL 950, 34210_RIEDEL, DPX-V 9360, HU 195, AIDS082313, EPA Pesticide Chemical Code 129008, AIDS-082313, LS-130611, C10949, 2-((((4,6-Dimethoxy-(2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-3-pyridinecarboxamide, 3-Pyridinecarboxamide, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-N,N-dimethyl-, 1-(4,6-Dimethoxy-2-pyrimidinyl)-3-[3-(dimethylcarbamoyl)-2-pyridylsulfonyl]urea, 2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,N-dimethylnicotinamide

Molecular Formula:	C₁₅H₁₈N₆O₆S	Molecular Weight:	410.405020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: RTCOGUMHFFWOJV-UHFFFAOYSA-N

• Nimodipine

IUPAC Name: 5-O-(2-methoxyethyl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 66085-59-4
Synonyms: nimodipine, Nimotop, Periplum, Admon, Remontal, Brainal, Kenesil, Calnit, Modus, Nimodipin Hexal, NimodipinISIS, Nimodipin ISIS, Nimodipin-ISIS, Nimodipino Bayvit, Nimotop(TM), nchembio.79-comp6, Nimodipinum [INN-Latin], Nimodipino [INN-Spanish], Spectrum_001880, SpecPlus_000716

Molecular Formula:	C₂₁H₂₆N₂O₇	Molecular Weight:	418.440340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N

• Nitrendipine

IUPAC Name: 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 39562-70-4
Synonyms: nitrendipine, Baypress, Bayotensin, Nidrel, Nitrendimerck, Baylotensin, Nitregamma, Nitrendepat, Nitrendidoc, Nitrendipin, Nitrepress, Tensogradal, Vastensium, Balminil, Baypresol, Jutapress, Nitrensal, Trendinol, Gericin, Niprina

Molecular Formula:	C₁₈H₂₀N₂O₆	Molecular Weight:	360.361200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: PVHUJELLJLJGLN-UHFFFAOYSA-N

• Nizatidine

IUPAC Name: (E)-1-N-[2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N'-methyl-2-nitroethene-1,1-diamine | CAS Registry Number: 76963-41-2
Synonyms: nizatidine, Acinon, Axid, Zanizal, Nizax, Calmaxid, Cronizat, Distaxid, Galitidin, Naxidine, Antizid, Gastrax, Nizaxid, Panaxid, Ulcosol, Tazac, Ulxid, Zinga, Splendil ER, Axid Ar

Molecular Formula:	C₁₂H₂₁N₅O₂S₂	Molecular Weight:	331.457440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: SGXXNSQHWDMGGP-IZZDOVSWSA-N

• NLRP3-IN-2

IUPAC Name: 5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | CAS Registry Number: 16673-34-0
Synonyms: Oprea1_786605, Oprea1_846330, 463442_ALDRICH, IFLab1_000209, CID85542, EINECS 240-722-5, BAS 00498400, IDI1_008428, ST5232470, 5-Chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, 5-Chloro-2-methoxy-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzamide, N-(2-(4-(Aminosulphonyl)phenyl)ethyl)-5-chloro-2-methoxybenzamide

Molecular Formula:	C₁₆H₁₇ClN₂O₄S	Molecular Weight:	368.835180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KVWWTCSJLGHLRM-UHFFFAOYSA-N

• Novoldiamine

IUPAC Name: 1-N,1-N-diethylpentane-1,4-diamine | CAS Registry Number: 140-80-7
Synonyms: 4-Aminopentyldiethylamine, 2-Amino-5-diethylaminopentane, 1-Diethylamino-4-aminopentane, 4-Amino-1-diethylaminopentane, 1-Methyl-4-dietylaminobutylamine, N,N-Diethyl-1,4-pentanediamine, N1,N1-Diethyl-1,4-pentanediamine, 1,4-Pentanediamine, N1,N1-diethyl-, delta-Diethylaminoisopentylamine, NCIOpen2_008651, 4-Diethylamino-1'-methylbutylamine, A48806_ALDRICH, 2-Amino-5-(diethylamino)pentane, NSC 2606, EINECS 205-435-1, NSC2606, .delta.-Diethylaminoisopentylamine, N,N-Diethyl-4-methyltetramethylenediamine, BRN 0741890, 4-(Diethylamino)-1-methylbutylamine

Molecular Formula:	C₉H₂₂N₂	Molecular Weight:	158.284380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CAPCBAYULRXQAN-UHFFFAOYSA-N

• O-2-Naphthyl chlorothioformate

IUPAC Name: O-naphthalen-2-yl chloromethanethioate | CAS Registry Number: 10506-37-3
Synonyms: CID82681, EINECS 234-037-0, ZINC02392238

Molecular Formula:	C₁₁H₇ClOS	Molecular Weight:	222.690680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: INFPIPCTRVDPJG-UHFFFAOYSA-N

• O-Acetyl mandelic Chloride

IUPAC Name: (2-chloro-2-oxo-1-phenylethyl) acetate | CAS Registry Number: 1638-63-7
Synonyms: Acetylmandelic chloride, 1-(Chloroformyl)benzyl acetate, O-ACETYLMANDELIC CHLORIDE, NSC28337, EINECS 216-674-6, SBB003420, 2-chloro-2-oxo-1-phenylethyl acetate, Benzeneacetyl chloride, .alpha.-(acetyloxy)-

Molecular Formula:	C₁₀H₉ClO₃	Molecular Weight:	212.629660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BERNQQVIUAZUHY-UHFFFAOYSA-N

• O-Anisaldehyde

IUPAC Name: 2-methoxybenzaldehyde | CAS Registry Number: 135-02-4
Synonyms: o-Anisaldehyde, 2-Anisaldehyde, Benzaldehyde, 2-methoxy-, o-Methoxybenzaldehyde, o-Anisaldehyde,, Formylanisole, o-, 6-Methoxybenzaldehyde, 2-METHOXYBENZALDEHYDE, Benzaldehyde, o-methoxy-, Salicylaldehyde methyl ether, 2-Methoxyphenylformaldehyde, 2-Methoxybenzenecarboxaldehyde, 109622_ALDRICH, 64770_FLUKA, EINECS 205-171-7, NSC 58960, NSC58960, BRN 0606301, ZINC01090557, AI3-01375

Molecular Formula:	C₈H₈O₂	Molecular Weight:	136.147920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

• O-Bromobenzonitrile

IUPAC Name: 2-bromobenzonitrile | CAS Registry Number: 2042-37-7
Synonyms: o-Bromobenzonitrile, Benzonitrile, 2-bromo-, Benzonitrile, o-bromo-, 2-BROMOBENZONITRILE, o-Bromocyanobenzene, 1-Bromo-2-cyanobenzene, B58008_ALDRICH, Benzonitrile, o-bromo- (8CI), EINECS 218-045-1, NSC 59730, NSC59730, BRN 2042185, SBB008569, ZINC00164585, LS-38645, 4-09-00-01013 (Beilstein Handbook Reference), AC-907/25014151, InChI=1/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4

Molecular Formula:	C₇H₄BrN	Molecular Weight:	182.017360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: AFMPMSCZPVNPEM-UHFFFAOYSA-N

• o-Bromofluorobenzene

IUPAC Name: 1-bromo-2-fluorobenzene | CAS Registry Number: 1072-85-1
Synonyms: o-Fluorobromobenzene, 1-Bromo-2-fluorobenzene, 2-Fluorobromobenzene, 2-Bromfluorbenzen, 2-Bromofluorobenzene, 1-Fluoro-2-bromobenzene, 1,2-Fluorobromobenzene, 2-Bromfluorbenzen [Czech], Benzene, 1-fluoro-2-bromo-, BENZENE, 1-BROMO-2-FLUORO-, WLN: FR BE, B66809_ALDRICH, EINECS 214-018-3, NSC 59696, NSC59696, LS-30352, ST5406323, InChI=1/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4

Molecular Formula:	C₆H₄BrF	Molecular Weight:	174.998363 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IPWBFGUBXWMIPR-UHFFFAOYSA-N

• O-Carbomethoxybenzene Sulphonamide

IUPAC Name: methyl 2-sulfamoylbenzoate | CAS Registry Number: 57683-71-3
Synonyms: Methyl o-sulphamoylbenzoate, Methyl 2-(aminosulfonyl)benzoate, 2-Carbomethoxybenzenesulfonamide, Oprea1_417687, 245232_ALDRICH, EINECS 260-903-2, 2-Sulfamoylbenzoic acid methyl ester, 2-carboxymethylbenzenesulfonamide 5, ALBB-006594, BRN 2728611, ZINC00056588, LS-38289, ST5319956, BENZOIC ACID, 2-SULFAMOYL-, METHYL ESTER, 0-11-00-00377 (Beilstein Handbook Reference)

Molecular Formula:	C₈H₉NO₄S	Molecular Weight:	215.226360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: VSOOBQALJVLTBH-UHFFFAOYSA-N

• O-Methylisourea Sulfate

IUPAC Name: [amino(methoxy)methylidene]azanium; hydrogen sulfate | CAS Registry Number: 29427-58-5
Synonyms: O-METHYLISOUREA SULFATE

Molecular Formula:	C₂H₈N₂O₅S	Molecular Weight:	172.160320 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: MDFRYRPNRLLJHT-UHFFFAOYSA-N

• o-Toluic acid

IUPAC Name: 2-methylbenzoic acid | CAS Registry Number: 118-90-1
Synonyms: 2-Methylbenzoic acid, O-TOLUIC ACID, Orthotoluic acid, o-Toluylic acid, Toluic acid, 2-Toluic acid, Benzoic acid, 2-methyl-, o-Methylbenzoic acid, o-Methylbenzoate, o-Toluate, Benzoic acid, methyl-, WLN: QVR B1, T36404_ALDRICH, MLS002152917, BENZOIC ACID,2-METHYL, NSC 2193, CHEBI:36632, EINECS 204-284-9, NSC2193, AIDS018011

Molecular Formula:	C₈H₈O₂	Molecular Weight:	136.147920 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZWLPBLYKEWSWPD-UHFFFAOYSA-N

• O.T. Base

IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline | CAS Registry Number: 119-93-7
Synonyms: o-Tolidine, Diaminoditolyl, Diaminotolyl, Orthotolidine, Bianisidine, 2-Tolidine, tolidine blue, 3,3'-Tolidine, 3,3'-DIMETHYLBENZIDINE, 2-Tolidin [German], o-Tolidine solution, 4,4'-Bianisidine, 2-Tolidina [Italian], Ellms-Hauser solution, Fast Dark Blue Base R, 4,4'-Bi-o-toluidine, 4,4'-Di-o-toluidine, Benzidine, 3,3'-dimethyl-, 2-tolidine perchlorate, 3,3-Dimethylbenzidine

Molecular Formula:	C₁₄H₁₆N₂	Molecular Weight:	212.290240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NUIURNJTPRWVAP-UHFFFAOYSA-N

• Octadecyl Bromide

IUPAC Name: 1-bromooctadecane | CAS Registry Number: 112-89-0
Synonyms: Stearyl bromide, Octadecyl bromide, n-Octadecyl bromide, Octadecane, 1-bromo-, 1-BROMOOCTADECANE, OCTADECANE,1-BROMO, 199494_ALDRICH, NSC5542, NSC 5542, EINECS 204-013-4, AI3-00994, ST5410256, InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H

Molecular Formula:	C₁₈H₃₇Br	Molecular Weight:	333.390380 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

• Olaquindocis

IUPAC Name: N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide | CAS Registry Number: 23696-28-8
Synonyms: Olaquindox, Bayernox, Bisergon, Bayonox, Olachindox [Czech], Olaquindox [BAN:INN], Ambap5297, Olaquindoxum [INN-Latin], BAY Va 9391, CCRIS 3001, HSDB 7025, 33987_RIEDEL, EINECS 245-832-7, NSC634933, AIDS135356, AIDS-135356, BRN 0758489, LS-142996, N-(2-Hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide 1,4-dioxide, 2-Quinoxalinecarboxamide, N-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide

Molecular Formula:	C₁₂H₁₃N₃O₄	Molecular Weight:	263.249320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: TURHTASYUMWZCC-UHFFFAOYSA-N

• Ondansetron

IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 116002-70-1
Synonyms: ondansetron, Zophren, Zofran, Zudan, Zofran ODT, ondansetron (Zofran), Zofran ODT (TN), Prestwick0_001058, Prestwick1_001058, Prestwick2_001058, Prestwick3_001058, TimTec1_001750, Oprea1_435466, Oprea1_852372, BSPBio_001016, CBDivE_008994, Ondansetron, (+,-)-Isomer, Ondansetron (JAN/USP/INN), SPBio_002938, Ondansetron [USAN:INN:BAN]

Molecular Formula:	C₁₈H₁₉N₃O	Molecular Weight:	293.362960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-N

• Ondansetron

IUPAC Name: 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 99614-02-5
Synonyms: ondansetron, Zophren, Zofran, Zudan, Zofran ODT, ondansetron (Zofran), Zofran ODT (TN), Prestwick0_001058, Prestwick1_001058, Prestwick2_001058, Prestwick3_001058, TimTec1_001750, Oprea1_435466, Oprea1_852372, BSPBio_001016, CBDivE_008994, Ondansetron, (+,-)-Isomer, Ondansetron (JAN/USP/INN), SPBio_002938, Ondansetron [USAN:INN:BAN]

Molecular Formula:	C₁₈H₁₉N₃O	Molecular Weight:	293.362960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: FELGMEQIXOGIFQ-UHFFFAOYSA-N