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• Manganese Sulphate (Monohydrate)

IUPAC Name: manganese(2+) sulfate hydrate | CAS Registry Number: 10034-96-5
Synonyms: Manganese sulfate hydrate, MANGANESE SULFATE, Manganese sulfate (TN), Manganese sulfate (USP), M1144_SIGMA, M7634_SIGMA, M7899_SIGMA, Manganese(II) sulfate hydrate, manganese(2+) sulfate hydrate, 13245_RIEDEL, 229784_ALDRICH, 31425_RIEDEL, MANGANESE SULFATE MONOHYDRATE, Manganese(II) sulfate monohydrate, Manganese (II) sulfate monohydrate, 221287_SIAL, CID177577, D04854, Sulfuric acid, manganese(2 ) salt (1:1), hydrate, 15244-36-7

Molecular Formula:	H₂MnO₅S	Molecular Weight:	169.015929 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ISPYRSDWRDQNSW-UHFFFAOYSA-L

• Mebbydrolin Napadisylate

IUPAC Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid | CAS Registry Number: 6153-33-9
Synonyms: Diazoline, Diazolinum, Diazolin, Incidal, Omeril, Fabahistin, Mebhydrolin napadisilate, Prestwick_605, Mebhydrolin napadisylate, Mebhydrolin napadisilate (JAN), EINECS 228-170-3, Mebhydroline 1,5-naphtalenedisulfonate, mebhydroline 1,5-naphthalenedisulfonate, 2C19H20N2.C10H8O6S2, Mebhydroline 1,5-naphthalenedisulfonate salt, NCGC00017059-01, LS-94672, CAS-6153-33-9, C13254, D01786

Molecular Formula:	C₄₈H₄₈N₄O₆S₂	Molecular Weight:	841.047920 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: CJUOSBUQOWKEKJ-UHFFFAOYSA-N

• Methyl Paraben, Sodium Salt

IUPAC Name: sodium 4-methoxycarbonylphenolate | CAS Registry Number: 5026-62-0
Synonyms: Solparol, Preserval MS, Bonomold OMNa, Methylparaben sodium, Sodium methylparaben, Ambap494, Methylparaben, sodium salt, Methylparaben sodium [USAN], Methylparaben sodium (NF), Sodium 4-carbomethoxyphenolate, Sodium methyl p-hydroxybenzoate, Sodium p-methoxycarbonylphenoxide, Sodium methyl 4-hydroxybenzoate, Sodium 4-(methoxycarbonyl)phenolate, 85265_FLUKA, EINECS 225-714-1, Methyl p-hydroxybenzoate, sodium salt, CID21121, Methyl 4-hydroxybenzoate sodium salt, LS-37619

Molecular Formula:	C₈H₇NaO₃	Molecular Weight:	174.129150 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PESXGULMKCKJCC-UHFFFAOYSA-M

• Mitoxantrone HCL

IUPAC Name: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione dihydrochloride | CAS Registry Number: 70476-82-3
Synonyms: Novantron, mitoxantrone, Novantrone, Immunex, Bisantrone, Onkotrone, Ralenova, Eslep, Mitoxantrone hydrochloride, Mitoxantrone dihydrochloride, DHAD, Novantron (TN), Prestwick_571, Mitozantrone hydrochloride, Mitroxantrone Hydrochloride, CCRIS 2592, HSDB 6543, M6545_SIGMA, SPECTRUM1503278, C22H28N4O6.2HCl

Molecular Formula:	C₂₂H₃₀Cl₂N₄O₆	Molecular Weight:	517.402800 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	10

InChIKey: ZAHQPTJLOCWVPG-UHFFFAOYSA-N

• Monensin sodium

IUPAC Name: (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoic acid | CAS Registry Number: 17090-79-8
Synonyms: monensin, Monensine, Rumensin, Prestwick3_000748, BSPBio_000736, BPBio1_000810, NSC343257 (SODIUM), AIDS000732, AIDS-000732, A 3823A, 22373-78-0 (SODIUM), 17090-79-8 (FREE ACID), C06693, 2-[5-Ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.beta.-methoxy-.alpha.,.gamma.,2,8-tetramethyl-1,6-dioxaspiro[4.5]decane-7-butyric acid

Molecular Formula:	C₃₆H₆₂O₁₁	Molecular Weight:	670.870880 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: GAOZTHIDHYLHMS-KEOBGNEYSA-N

• Mycophenolate Mofetil

IUPAC Name: 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate | CAS Registry Number: 128794-94-5
Synonyms: mycophenolate mofetil, CellCept, Munoloc, Cellcept (TN), Mycophenylate mofetil, Ambap3904, ME-MPA, RS 61443, C23H31NO7, HSDB 7436, AIDS059828, Mycophenolate mofetil (JAN/USAN), RS-61443, Mycophenolic acid morpholinoethyl ester, RS-61443;MMF CellCept(TM), AIDS-059828, NSC724229, DB00688, NCGC00159459-02, NCGC00159459-03

Molecular Formula:	C₂₃H₃₁NO₇	Molecular Weight:	433.494740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N

• N-acetyl aspartate

IUPAC Name: (2S)-2-acetamidobutanedioic acid | CAS Registry Number: 997-55-7
Synonyms: Acetylaspartic acid, N-Acetylaspartate, N-Acetylaspartic acid, N-Acetyl-L-aspartic acid, Acetyl-L-aspartic acid, L-N-Acetylaspartic acid, N-Acetyl-L-aspartate, Spectrum_001592, SpecPlus_000890, Prestwick3_000415, Spectrum2_000792, Spectrum3_001661, Spectrum4_000604, Spectrum5_001394, L-Aspartic acid, N-acetyl-, BSPBio_000370, BSPBio_003441, KBioGR_001128, KBioSS_002072, MLS001335915

Molecular Formula:	C₆H₉NO₅	Molecular Weight:	175.139360 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OTCCIMWXFLJLIA-BYPYZUCNSA-N

• N-Acetyl-Dl-Methionine

IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid | CAS Registry Number: 1115-47-5
Synonyms: N-Acetylmethionine, Maybridge1_002609, DL-ACETYLMETHU=IONINE, DivK1c_001361, SBB006737, CDS1_000321, SR-01000634087-1, AME

Molecular Formula:	C₇H₁₃NO₃S	Molecular Weight:	191.248020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N

• N-acetyl-dl-phenylalanine crystalline

IUPAC Name: 2-acetamido-3-phenylpropanoic acid | CAS Registry Number: 2901-75-9
Synonyms: Afalanine, N-Acetylphenylalanine, acetylphenylalanine, Afalanine [INN], N-Acetyl-DL-phenylalanine, Acetyl-D-phenylalanine, Acetyl-L-phenylalanine, Afalaninum [INN-Latin], N-Acetyl-D,L-phenylalanine, Afalanina [INN-Spanish], L-Phenylalanine, N-acetyl-, L-N-Acetylphenylalanine, Spectrum_000412, DL-N-Acetyl-3-phenylalanine, DL-Phenylalanine, N-acetyl-, N-Acetyl-D-phenylalanine, N-Acetyl-L-phenylalanine, Maybridge1_002347, N-Acetyl-3-phenyl-DL-alanine, Spectrum2_001352

Molecular Formula:	C₁₁H₁₃NO₃	Molecular Weight:	207.225820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: CBQJSKKFNMDLON-UHFFFAOYSA-N

• N-acetyl-L-alanine

IUPAC Name: 2-acetamidopropanoic acid | CAS Registry Number: 97-69-8
Synonyms: Acetylalanine, N-ACETYLALANINE, N-Acetyl-S-alanine, L-Alanine, N-acetyl-, N-Acetyl-L-alanine, N-Acetyl-DL-alanine, Alanine, N-acetyl-, L-, DL-Alanine, N-acetyl-, 2-acetamidopropanoic acid, 2-Acetamidopropionic acid, 2-Acetylaminopropionic acid, L-Alanine, N-acetyl- (9CI), Alanine, N-acetyl-, L- (8CI), NSC43118, EINECS 202-602-0, EINECS 214-229-0, NSC186892, NSC203819, SBB000064, DB02518

Molecular Formula:	C₅H₉NO₃	Molecular Weight:	131.129860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: KTHDTJVBEPMMGL-UHFFFAOYSA-N

• N-Methyl-1-naphthylmethylamine

IUPAC Name: N-methyl-1-naphthalen-1-ylmethanamine | CAS Registry Number: 14489-75-9
Synonyms: N-Methyl-1-naphthalenemethylamine, N-Methylnaphthalene-1-methylamine, 1-Methyl-1-naphthalenemethylamine, N-Methyl-1-Naphthalenemethyl amine, CID84474, NSC39782, 1-Naphthalenemethanamine, N-methyl-, EINECS 238-497-3, NSC129392, SBB005765, FS011322, TL8006167

Molecular Formula:	C₁₂H₁₃N	Molecular Weight:	171.238320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MQRIUFVBEVFILS-UHFFFAOYSA-N

• Nedaplatin

IUPAC Name: azanide; 2-hydroxyacetic acid; platinum(2+) | CAS Registry Number: 95734-82-0
Synonyms: Aqupla, Nedaplatin [INN], Aqupla (TN), CGDP-II, Nedaplatin (JAN/INN), C2H6N2O3Pt, cis-Diammine(glycolato)platinum, CCRIS 4088, cis-Diammine (glycolato)platinum, cis-Diammine(glycolato)platinum(II), NSC 375101D, cis-diammine(glycolato)platinum II, (Glycolato-O,O')diammineplatinum(II), NSC-375101D, (glycolato-O,O')diammineplatinum II, 254-S, NCGC00181152-01, LS-117704, C12862, cis-Diammine(glycolato-O(sup 1),O(sup 2))platinum

Molecular Formula:	C₂H₈N₂O₃Pt	Molecular Weight:	303.174520 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: KLNFSAOEKUDMFA-UHFFFAOYSA-N

• Nicarbazin

IUPAC Name: 1,3-bis(4-nitrophenyl)urea; 4,6-dimethyl-1H-pyrimidin-2-one | CAS Registry Number: 330-95-0
Synonyms: Nicarbazine, Nicrazine, Nicrazin, Nicoxin, Nirazin, Nicarb, Nicarbasin, Nicarbazin [BAN], MK 75, MK 75 (VAN), NSC 7171, EINECS 206-359-1, HSDB 7466, CID9507, NSC7171, AIDS167618, AIDS-167618, C13H10N4O5.C6H8N2O, AI3-60130, LS-51581

Molecular Formula:	C₁₉H₁₈N₆O₆	Molecular Weight:	426.382820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UKHWDRMMMYWSFL-UHFFFAOYSA-N

• Nilutamide

IUPAC Name: 5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione | CAS Registry Number: 63612-50-0
Synonyms: nilutamide, Nilandron, Anandron, Nilandrone, Nilutamidum [Latin], Nilandron (TN), Nilutamida [Spanish], Spectrum_001625, Tocris-1759, SpecPlus_000902, Nilutamide (USAN/INN), Prestwick0_000928, Prestwick1_000928, Prestwick2_000928, Prestwick3_000928, Spectrum2_001973, Spectrum3_001633, Spectrum4_000600, Spectrum5_001512, Lopac-N-8534

Molecular Formula:	C₁₂H₁₀F₃N₃O₄	Molecular Weight:	317.220710 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: XWXYUMMDTVBTOU-UHFFFAOYSA-N

• Oxiracetam

IUPAC Name: 2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 62613-82-5
Synonyms: oxiracetam, Hydroxypiracetam, Neuractiv, Neuromet, Oriest, 4-Hydroxypiracetam, (+-)-Oxiracetam, Oxiracetam (INN), Oxiracetam [BAN:INN], Oxiracetamum [INN-Latin], CCRIS 4221, Lopac0_000933, O3011_SIGMA, CT-848, CGP 21690E, ISF 2522, ISF-2522, C6H10N2O3, CGP-21690E, 4-Hydroxy-2-oxo-1-pyrrolidineacetamide

Molecular Formula:	C₆H₁₀N₂O₃	Molecular Weight:	158.155200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IHLAQQPQKRMGSS-UHFFFAOYSA-N

• Ozagrel hydrochloride

IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrochloride | CAS Registry Number: 78712-43-3
Synonyms: ozagrel hydrochloride, OZAGREL HCl, OKY 046 hydrochloride, OKY-046 hydrochloride, OKY-046, Ozagrel hydrochloride hydrate, MLS001401435, O1385_SIGMA, C13H12N2O2.HCl.H2O, CID6438130, ozagrel, monohydrochloride, (E)-isomer, CPD000469164, SAM001246593, SMR000469164, LS-123661, TL8005361, C13144, (E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenoic acid hydrochloride, 2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, monohydrochloride, (E)-, (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic acid hydrochloride hydrate

Molecular Formula:	C₁₃H₁₃ClN₂O₂	Molecular Weight:	264.707520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CWKFWBJJNNPGAM-IPZCTEOASA-N

• Piracetam

IUPAC Name: 2-(2-oxopyrrolidin-1-yl)acetamide | CAS Registry Number: 7491-74-9
Synonyms: piracetam, Ciclofalina, Nootropil, Nootropyl, Pyracetam, Gabacet, Pyramem, Normabrain, Genogris, Pirazetam, Pirroxil, Euvifor, Nootron, Cerebroforte, Piracebral, Piracetrop, Avigilen, Cuxabrain, Sinapsan, Dinagen

Molecular Formula:	C₆H₁₀N₂O₂	Molecular Weight:	142.155800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GMZVRMREEHBGGF-UHFFFAOYSA-N

• Potassium Acesulphame

IUPAC Name: potassium 3-methyl-5,5-dioxo-4-oxa-5$l^{6}-thia-6-azanidacyclohex-2-en-1-one | CAS Registry Number: 55589-62-3
Synonyms: Acesulfame K, Acesulfame-K, Acesulfame potassium, 47134_SUPELCO, 04054_FLUKA, NCGC00090729-01, 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide potassium salt, potassium 6-methyl-4-oxo-4H-1,2,3-oxathiazin-3-ide 2,2-dioxide

Molecular Formula:	C₄H₄KNO₄S	Molecular Weight:	201.242160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-M

• Potassium Aspartate

IUPAC Name: dipotassium 2-aminobutanedioate | CAS Registry Number: 14007-45-5
Synonyms: Aspara K, K-Flebo, Potassium aspartate, Potassium L-aspartate, Dipotassium aspartate, Dipotassium L-aspartate, Aspartic acid potassium salt, Aspartic acid, potassium salt, L-Aspartic acid, potassium salt, EINECS 237-814-2, L-Aspartic acid, dipotassium salt, EINECS 217-892-4, Aspartic acid, dipotassium salt, L-, ASPARTIC ACID, POTASSIUM SALT, L-, LS-22138, 16643-58-6, 2001-89-0, 56-84-8

Molecular Formula:	C₄H₅K₂NO₄	Molecular Weight:	209.283400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: IKALZAKZWHFNIC-UHFFFAOYSA-L

• Potassium citrate

IUPAC Name: tripotassium 2-hydroxypropane-1,2,3-tricarboxylate | CAS Registry Number: 866-84-2
Synonyms: Kaliksir, Litocit, Porekal, Kajos, Polycitra K, Urocit K, Seltz-K, TRIPOTASSIUM CITRATE, Potassium tribasic citrate, Potassium citrate anhydrous, Citric acid, tripotassium salt, Citric acid, potassium salt, CCRIS 6566, Citric acid tripotassium salt, HSDB 1248, P1722_SIGMA, Potassium Citrate (anhydrous), 25107_RIEDEL, 60153_FLUKA, 89306_FLUKA

Molecular Formula:	C₆H₅K₃O₇	Molecular Weight:	306.394600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: QEEAPRPFLLJWCF-UHFFFAOYSA-K

• Potassium DL-Aspartate

IUPAC Name: potassium;2-aminobutanedioate | CAS Registry Number: 14434-35-6
Synonyms: DL-Aspartic acid, potassium salt, EINECS 238-407-2, FT-0625443

Molecular Formula:	C₄H₅KNO₄-	Molecular Weight:	170.185100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: TXXVQZSTAVIHFD-UHFFFAOYSA-L

• R-Alpha Lipoic Acid

IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 1200-22-2
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula:	C₈H₁₄O₂S₂	Molecular Weight:	206.325560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• R-LIPOIC ACID L-ARGININE (CAS: 20902-54-9)

• 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

• Ropivacaine Hydrochloride

IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide hydrate hydrochloride | CAS Registry Number: 132112-35-7
Synonyms: Anapaine, Anapeine, Naropina, Naropin, Anapeine (TN), Ropivacaine hydrochloride, Ropivacaine hydrochloride (USP), Ropivacaine hydrochloride hydrate, ETI-211, LEA-103, AL-281, CID6918111, Ropivacaine hydrochloride hydrate (JAN), D04048

Molecular Formula:	C₁₇H₂₉ClN₂O₂	Molecular Weight:	328.877360 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: VSHFRHVKMYGBJL-CKUXDGONSA-N

• S-Phenyl-L-cysteine

IUPAC Name: (2R)-2-amino-3-phenylsulfanylpropanoic acid | CAS Registry Number: 34317-61-8
Synonyms: S-Phenylcysteine, 3-Phenylcysteine, beta-Phenylcysteine, L-Cysteine, S-phenyl-, 4-Thia-L-homophenylalanine, 3-(Phenylthio)-L-Alanine, 530190_ALDRICH, ST5405832

Molecular Formula:	C₉H₁₁NO₂S	Molecular Weight:	197.254140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XYUBQWNJDIAEES-QMMMGPOBSA-N

• Saccharin Sodium

IUPAC Name: sodium 1,1-dioxo-1,2-benzothiazol-2-id-3-one | CAS Registry Number: 128-44-9
Synonyms: Cristallose, Crystallose, Kristallose, Willosetten, Madhurin, Sucromat, Dagutan, Sweeta, Sykose, Saxin, Sucra, Saccharinnatrium, Soluble gluside, Saccharin, sodium, Sodium saccharin, succaril, Saccharin soluble, Sodium saccharide, Sodium saccharine, Soluble saccharin

Molecular Formula:	C₇H₄NNaO₃S	Molecular Weight:	205.166330 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WINXNKPZLFISPD-UHFFFAOYSA-M

• Sodium Butyl Paraben

IUPAC Name: sodium 4-butoxycarbonylphenolate | CAS Registry Number: 36457-20-2
Synonyms: Sodium butylparaben, Sodium butyl 4-hydroxybenzoate, Butyl p-hydroxybenzoate sodium, EINECS 253-049-7, CID37453, LS-37544, BENZOIC ACID, p-HYDROXY-, BUTYL ESTER, SODIUM SALT

Molecular Formula:	C₁₁H₁₃NaO₃	Molecular Weight:	216.208890 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OGBHACNFHJJTQT-UHFFFAOYSA-M

• Sodium Ethyl Paraben

IUPAC Name: sodium 4-ethoxycarbonylphenolate | CAS Registry Number: 35285-68-8
Synonyms: Sodium ethylparaben, Ambap495, Ethylparaben, sodium salt, Sodium 4-ethoxycarbonylphenoxide, EINECS 252-487-6, Ethyl p-hydroxybenzoate, sodium salt, CID37103, LS-37574, 4-Hydroxybenzoic acid, ethyl ester, sodium salt, Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt, Benzoic acid, p-hydroxy-, ethyl ester, sodium deriv, BENZOIC ACID, p-HYDROXY-, ETHYL ESTER, SODIUM DERIV.

Molecular Formula:	C₉H₉NaO₃	Molecular Weight:	188.155730 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QYNMSPKSYXPZHG-UHFFFAOYSA-M

• Sodium Propyl Paraben

IUPAC Name: sodium 4-propoxycarbonylphenolate | CAS Registry Number: 35285-69-9
Synonyms: Parasept, Propylparaben sodium, Sodium propylparaben, Caswell No. 714A, Propylparaben, sodium salt, Propylparaben sodium [USAN], Propylparaben sodium (NF), Natrium propyl 4-hydroxybenzoat, Sodium 4-propoxycarbonylphenoxide, Sodium propyl 4-hydroxybenzoate, Propyl-4-hydroxybenzoat natriumsalz, 95038_FLUKA, EINECS 252-488-1, Propyl p-hydroxybenzoate, sodium salt, EPA Pesticide Chemical Code 061204, CID37104, Propyl 4-hydroxybenzoate sodium salt, LS-37680, 4-Hydroxybenzoic acid, propyl ester, sodium salt, Benzoic acid, 4-hydroxy-, propyl ester, sodium salt

Molecular Formula:	C₁₀H₁₁NaO₃	Molecular Weight:	202.182310 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IXMINYBUNCWGER-UHFFFAOYSA-M

• Sodium Thioctate

IUPAC Name: sodium 5-(dithiolan-3-yl)pentanoate | CAS Registry Number: 2319-84-8
Synonyms: Tioctinessa, Tioicorzan, Eparidasi, Thioctan, Tioctene, Tioctan, Epakon, Sodium thioctate, Thioctic acid sodium salt, 6,8-Thioctic acid sodium salt, CID200611, 1,2-Dithiolane-3-valeric acid, sodium salt, 1,2-Dithiolane-3-pentanoic acid, sodium salt, LS-63314

Molecular Formula:	C₈H₁₃NaO₂S₂	Molecular Weight:	228.307390 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: UUDFBRWLHZIIQX-UHFFFAOYSA-M

• Succinylsulfathiazole

IUPAC Name: 4-oxo-4-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butanoic acid | CAS Registry Number: 116-43-8
Synonyms: succinylsulfathiazole, Cremosuxidine, Sulfadigesin, Colistatin, Kaoxidin, Sulfasuccidin, Sulfasuccidine, Sulfasuccinil, Sulfasuxidine, Sulfenterone, Kaoxidine, Thiacyl, Rolsul, Sulfasuccithiazole, Prestwick_1016, Succinyl sulfathiazole, Spectrum_001389, Maybridge1_006038, Prestwick0_000702, Prestwick1_000702

Molecular Formula:	C₁₃H₁₃N₃O₅S₂	Molecular Weight:	355.389420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: SKVLYVHULOWXTD-UHFFFAOYSA-N

• Sulbutiamine

IUPAC Name: [(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanylpent-3-enyl] 2-methylpropanoate | CAS Registry Number: 3286-46-2
Synonyms: bisibutiamine, Bisibutiamin, Arcalion, Vitaberin, sulbuthiamine, sulbutiamin, Bisibuthiamine, Youvitan, Sulbutiamine [INN], Youvitan (TN), Sulbutiamine (INN), Bisibuthiamine (JAN), Sulbutiaminum [INN-Latin], Sulbutiamina [INN-Spanish], O-Isobutyroylthiamine disulfide, 2-isobutyrylthiamine disulfide, O,O'-Diisobutyrylthiamine disulfide, EINECS 221-937-3, Thiamine disulfide O,O-diisobutyrate, C32H46N8O6S2

Molecular Formula:	C₃₂H₄₆N₈O₆S₂	Molecular Weight:	702.887640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	12

InChIKey: CKHJPWQVLKHBIH-GPAWKIAZSA-N

• Teniposide

IUPAC Name: (5R,5aR)-9-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one | CAS Registry Number: 29767-20-2
Synonyms: teniposide, CID5284623, (8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(2-thienylmethylidene)-beta-D-glucopyranoside

Molecular Formula:	C₃₂H₃₂O₁₃S	Molecular Weight:	656.653680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	13

InChIKey: NRUKOCRGYNPUPR-NFIYYIGVSA-N

• Tetrahydrobiopterin

IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pteridin-4-one | CAS Registry Number: 17528-72-2
Synonyms: tetrahydrobiopterin, Sapropterin, Thbp, tetra-H-biopterin, tetra-hydro-biopterin, tetrahydro-6-biopterin, 5,6,7,8-tetrahydrobiopterin, BPH4, phenylalanine hydroxylase cofactor, 5,6,7,8 Tetrahydrobiopterin, 5,6,7,8-tetra-H-biopterin, 6R-BH4, 5,6,7,8-tetrahydrodictyopterin, C9H15N5O3, CHEBI:15372, CID1125, 5,6,7,8-erythro-tetrahydrobiopterin, CHEBI:331300, BRN 0544742, DB00360

Molecular Formula:	C₉H₁₅N₅O₃	Molecular Weight:	241.247100 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	7

InChIKey: FNKQXYHWGSIFBK-UHFFFAOYSA-N

• Thioctic Acid

IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid | CAS Registry Number: 62-46-4
Synonyms: lipoic acid, thioctic acid, lipoate, Heparlipon, Biletan, alpha-Lipoic acid, Thioctacid, Thioctidase, Tioctidasi, Lipothion, Thioctsan, Tioctacid, Liposan, alpha-liponic acid, Thioctanoic acid, (R)-lipoic acid, Protogen A, Thiooctanoic acid, R-Lipoate, R-Lipoic acid

Molecular Formula:	C₈H₁₄O₂S₂	Molecular Weight:	206.325560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N

• Tobramycin

IUPAC Name: (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol | CAS Registry Number: 32986-56-4
Synonyms: tobramycin, Tobrex, Tobracin, Tenebrimycin, Tobramitsetin, Tobramycetin, Brulamycin, Gotabiotic, Tobradistin, Tobramaxin, Tobramicin, Tenemycin, Tobradex, Tobralex, Tobrased, Tobrasone, Tobacin, Nebramycin 6, 1-Epitobramycin, Deoxykanamycin B

Molecular Formula:	C₁₈H₃₇N₅O₉	Molecular Weight:	467.514480 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	14

InChIKey: NLVFBUXFDBBNBW-PBSUHMDJSA-N

• Trans-1,2-Cyclohexanediaminetetraacetic Acid

IUPAC Name: 2-[[(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid | CAS Registry Number: 13291-61-7
Synonyms: CDTA, EINECS 236-308-9, trans-Cyclohexane-1,2-dinitrilotetraacetic acid, Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-, trans-, Glycine, N,N'-1,2-cyclohexanediylbis(N-(carboxymethyl)-, trans-

Molecular Formula:	C₁₄H₂₂N₂O₈	Molecular Weight:	346.333080 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: FCKYPQBAHLOOJQ-UWVGGRQHSA-N

• Tropisetron

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | CAS Registry Number: 89565-68-4
Synonyms: tropisetron, Navoban, Novaban, Navoban (TN), Tropisetron (INN), Lopac-T-104, STOCK1N-71105, PDSP1_000776, PDSP2_000764, ICS-205930, NCGC00015984-01, NCGC00161414-01, C13666, D02130, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate

Molecular Formula:	C₁₇H₂₀N₂O₂	Molecular Weight:	284.352900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

• Vinorelbine Tartrate

Synonyms: Navelbine, vinorelbine, Vinorelbine tartrate, Vinorelbine ditartrate, Navelbine (TN), Vinorelbine tartrate [USAN], Vinorelbine tartrate (USP), Vinorelbine ditartrate (JAN), Nor-5'-anhydrovinblastine ditartrate, CID60779, KW-2307, C45H54N4O8.2C4H6O6, KW 2307, LS-97534, D01935, Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (1:2) (salt), C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:2) (salt), 3',4'-Didehydro-4'-deoxy-8'-norvincaleukoblastine L-(+)-tartrate (1:2) (salt)

Molecular Formula:	C₅₃H₆₆N₄O₂₀	Molecular Weight:	1079.105940 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	24

InChIKey: CILBMBUYJCWATM-NPJYPKOYSA-N

• Vitamin B1

IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride | CAS Registry Number: 59-43-8
Synonyms: thiamin, thiamine, Vitaneurin, Aneurine, Betabion, Bethiamin, Oryzanin, Oryzanine, Beivon, Apatate drape, vitamin B1, Thiamine monochloride, Thiamine, chloride, B-Amin, Thiaminum [INN-Latin], Tiamina [INN-Spanish], Thiamine [INN:BAN], thiamine(1+) chloride, Thiamine monohydrochloride, CCRIS 5823

Molecular Formula:	C₁₂H₁₇ClN₄OS	Molecular Weight:	300.807580 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MYVIATVLJGTBFV-UHFFFAOYSA-M

• Zinc Sulphate

IUPAC Name: zinc sulfate | CAS Registry Number: 7733-02-0
Synonyms: Zinc sulfate, Zinc sulphate, Complexonat, Medizinc, Solvezinc, Solvezink, Verazinc, Zincomed, Zinkosite, Bonazen, Optised, Optraex, Orazinc, Zincate, Zinklet, Neozin, White copperas, White vitriol, Zinc vitriol, Zinci Sulfas

Molecular Formula:	O₄SZn	Molecular Weight:	161.471600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: NWONKYPBYAMBJT-UHFFFAOYSA-L

• (2S)-3-Methyl-2-(2-oxo-tetrahydro-pyrimidin-1-YL)-butyric acid

IUPAC Name: (2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid | CAS Registry Number: 192725-50-1
Synonyms: (S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, (2S)-(1-Tetrahydropyramid-2-one)-3-methylbutanoic acid, SureCN627916, CTK8C4253, MolPort-003-850-480, ANW-71394, WTI-10556, AKOS016007501, LS30168, RP25782, AK-89742, KB-211490, WT-130051, 2(S)-(1-tetrahyr- Pyramid-2-one)-3-methyl butanoic acid, (2S)-3-Methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanoic acid, (|AS)-Tetrahydro-|A-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic Acid, (S)-Tetrahydro-|A-(1-methylethyl)-2-oxo-1(2H)-pyrimidineacetic Acid

Molecular Formula:	C₉H₁₆N₂O₃	Molecular Weight:	200.234940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AFGBRTKUTJQHIP-ZETCQYMHSA-N

• 3,5-Bis(cyanomethyl)toluene

IUPAC Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile | CAS Registry Number: 120511-74-2
Synonyms: 5-Methyl-1,3-benzenediacetonitrile, 3,5-bis-(Cyanomethyl)toluene, 1,3-Benzenedicarbonitrile,2,5-dimethyl-, [3-(cyanomethyl)-5-methylphenyl]acetonitrile, 2,2'-(5-Methyl-1,3-phenylene)diacetonitrile, 107170-81-0, PubChem19672, ACMC-20ah11, SureCN2262582, BEN019, CTK4A5037, 5-Methyl-1,3-diacetonitrilbezene, MolPort-003-848-738, 5-Methylbenzene-1,3-diacetonitrile, ANW-72995, SBB068769, ZINC21297549, 1,3-Benzenediacetonitrile, 5-methyl-, AKOS006285190, AC-6805

Molecular Formula:	C₁₁H₁₀N₂	Molecular Weight:	170.210500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XJCXEUYJQHPEAE-UHFFFAOYSA-N

• 1-Chloro-6,6-dimethyl-2-heptene-4-yne

IUPAC Name: (E)-1-chloro-6,6-dimethylhept-2-en-4-yne | CAS Registry Number: 126764-17-8
Synonyms: 1-Chloro-6,6-dimethyl-5-hept-2-en-4-ino, SBB067016, 1-chloro-6,6-dimethyl-2-hepten-4-yne, (2E)-1-chloro-6,6-dimethylhept-2-en-4-yne, 2-Hepten-4-yne, 1-chloro-6,6-dimethyl-, MolPort-001-770-099, AM715, 287471-30-1, ACT05305, ZINC02525704, AKOS006222561, RP22074, 1-chloro-6,6-dimethylhept-2-en-4-yne, AK-33055, H583, KB-11948, E-1-Chloro-6,6-Dimethyl-2-hepten-4-yne, FT-0643056, FT-0652223, FT-0653560

Molecular Formula:	C₉H₁₃Cl	Molecular Weight:	156.652520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ZIXABMZBMHDFEZ-GQCTYLIASA-N

• 2-Isopropyl-4-(methylaminomethyl)thiazole

IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine | CAS Registry Number: 154212-60-9
Synonyms: 2-isopropyl-4-(methylaminomethyl)thiazole, SureCN902615, Jsp003006, CTK6I5498, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine, MolPort-003-178-878, ANW-45087, AKOS010300418, AG-A-43413, AM84496, MCULE-2512608170, AK-28815, KB-24753, FT-0643514, ST51051204, X4182, 1-(2-isopropylthiazol-4-yl)-N-methyl methanamine, A809508, I05-0064, N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine

Molecular Formula:	C₈H₁₄N₂S	Molecular Weight:	170.275160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: HWSFABGWAXURNG-UHFFFAOYSA-N

• 6,8-Dichloroethylcaprylate

IUPAC Name: ethyl 6,8-dichlorooctanoate | CAS Registry Number: 1070-64-0
Synonyms: 6,8-Dichlorooctanoic acid ethyl ester, BRN 1771820, LS-97965, OCTANOIC ACID, 6,8-DICHLORO-, ETHYL ESTER, 4-02-00-00998 (Beilstein Handbook Reference)

Molecular Formula:	C₁₀H₁₈Cl₂O₂	Molecular Weight:	241.154720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RFYDWSNYTVVKBR-UHFFFAOYSA-N

• 4-Amino-3-pheny-butyric acid

IUPAC Name: 4-amino-3-phenylbutanoic acid | CAS Registry Number: 1078-21-3
Synonyms: Phenylgamma, Fenigama, Phenibut, Phenigam, Phenigama, Phenylgam, Fenibut, Fenigam, Pgaba, PhGaba, phenybut, phenyl-GABA, 4-Amino-3-phenylbutyric acid, 4-Amino-3-phenylbutanoic acid, beta-Phenyl-gamma-aminobutyrate, Oprea1_183000, Oprea1_381119, 4-Amino-3-phenyl-butyric acid, beta-Phenyl-gamma-aminobutyric acid, beta-(Aminomethyl)hydrocinnamic acid

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DAFOCGYVTAOKAJ-UHFFFAOYSA-N

• 6-Dehydroprogesterone

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 1162-56-7
Synonyms: dydrogesterone, Pregna-4,6-diene-3,20-dione, CID101994

Molecular Formula:	C₂₁H₂₈O₂	Molecular Weight:	312.445820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JGMOKGBVKVMRFX-LEKSSAKUSA-N

• 3-Amino-1-N-Boc-piperidine

IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate | CAS Registry Number: 144243-24-3
Synonyms: 1-Boc-3-aminopiperidine, 184637-48-7, tert-butyl 3-aminopiperidine-1-carboxylate, (+/-)-3-Amino-1-N-Boc-piperidine, N-Boc-3-piperidinamine, 3-Amino-piperidine-1-carboxylic acid tert-butyl ester, AG-D-87287, (r)-n-boc-3-aminopiperidine, (s)3-amino-1-boc-piperidine, tert-Butyl 3-amino-1-piperidinecarboxylate, (r)-tert-butyl 3-aminopiperidine-1-carboxylate, (s)-tert-butyl 3-aminopiperidine-1-carboxylate, ACMC-209eqz, ACMC-1C2BB, Azacycloheptane, 3-amino-1-t-butoxycarbonyl-, ACMC-209n4y, SureCN181566, 3-Amino-1-Boc-piperidine, AC1LC0R6, Ambcb4004065

Molecular Formula:	C₁₀H₂₀N₂O₂	Molecular Weight:	200.278000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AKQXKEBCONUWCL-UHFFFAOYSA-N