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• A 21960
IUPAC Name: ethyl 2-chloro-3-oxobutanoate | CAS Registry Number: 609-15-4
Synonyms: Ethyl 2-chloroacetoacetate, Ethyl-2-chloracetoacetate, Ethyl 2-chloro-3-oxobutanoate, Ethyl alpha-chloroacetoacetate, 2-Cl-ACE, CCRIS 6889, E16902_ALDRICH, 2-Chloroacetoacetic acid ethyl ester, Ethyl .alpha.-chloroacetoacetate, 10895_FLUKA, 22811_FLUKA, Acetoacetic acid, 2-chloro-, ethyl ester, EINECS 210-180-4, 2-Chloro-3-oxobutyric acid ethyl ester, Butanoic acid, 2-chloro-3-oxo-, ethyl ester, NSC 78426, 2-Chloro-3-oxobutanoic acid, ethyl ester, NSC78426, ETHYL 2-CHLORO-3-OXO-BUTANOATE, LS-188170

Molecular Formula: C6H9ClO3Molecular Weight: 164.586860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N

• Ac-DL-Trp-OH
IUPAC Name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid | CAS Registry Number: 87-32-1
Synonyms: N-Acetyltryptophan, acetyltryptophan, Acetyl tryptophan, Acetyl-L-trp, Acetyl-L-tryptophan, AC-Try, L-Tryptophan, N-acetyl-, N-Acetyl-D-tryptophan, N-Acetyl-L-tryptophan, DL-Acetyltryptophan, (S)-N-Acetyltryptophan, DL-N-Acetyltryptophan, Tryptophan, N-acetyl-, N-Acetyl-DL-tryptophan, DL-Tryptophan, N-acetyl-, N-Acetyl-DL-tryptophane, TRYPTOPHAN, N-ACETYL-, L-, D-Tryptophan, N-acetyl-, Tryptophan, N-acetyl-, DL-, N-acetyltryptophanate sodium

Molecular Formula: C13H14N2O3Molecular Weight: 246.261860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DZTHIGRZJZPRDV-UHFFFAOYSA-N

• Aceclofenac
IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771, BRN 4884476

Molecular Formula: C16H13Cl2NO4Molecular Weight: 354.184720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Aceglutamide
IUPAC Name: 2-acetamido-5-amino-5-oxopentanoic acid | CAS Registry Number: 2490-97-3
Synonyms: Acetylglutamine, Aceglutamid, N-Acetyl-L-glutamine, N2-Acetyl-L-glutamine, L-Glutamine, N2-acetyl-, N(sup2)-Acetyl-L-glutamine, Aceglutamidum [INN-Latin], Aceglutamida [INN-Spanish], L-2-Acetamidoglutaramic acid, Glutamine, N2-acetyl-, L-, .alpha.-N-Acetyl-L-glutamine, EINECS 219-647-7, NSC186896, Glutamine, N2-acetyl-, L- (8CI), DB04167, NSC 186896, (2S)-2-acetamido-5-amino-5-oxopentanoic acid, 30703-24-3, 7577-60-8

Molecular Formula: C7H12N2O4Molecular Weight: 188.181180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: KSMRODHGGIIXDV-UHFFFAOYSA-N

• Acenaphthylene
IUPAC Name: acenaphthylene | CAS Registry Number: 208-96-8
Synonyms: ACENAPHTHYLENE, Acenaphthalene, Cyclopenta[de]naphthalene, Acenaphthylene solution, Cyclopenta(de)naphthalene, A805_ALDRICH, 48630U_SUPELCO, HSDB 2661, 40075_SUPELCO, 48566_SUPELCO, 36958_RIEDEL, 416703_ALDRICH, CHEBI:33081, EINECS 205-917-1, Acenaphthylene, radical ion(1-), CID9161, NSC 59821, acenaphthylene, radical ion (1-), NSC59821, LS-7874

Molecular Formula: C12H8Molecular Weight: 152.191920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N

• Acesulfame
IUPAC Name: 6-methyl-2,2-dioxooxathiazin-4-one | CAS Registry Number: 33665-90-6
Synonyms: Acetosulfam, ACESULFAME, Acesulfame [BAN:INN], Acesulfamum [INN-Latin], Acesulfamo [INN-Spanish], HSDB 3914, EINECS 251-622-6, LS-194315, 6-Methyl-1,2,3-oxathiazin-4(3H)-on 2,2-dioxid, 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide, 1,2,3-Oxathiazin-4(3H)-one, 6-methyl-, 2,2-dioxide, 3,4-Dihydro-6-methyl-1,2,3-oxathiazin-4-one-2,2-dioxide, 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-dioxide, 55589-62-3

Molecular Formula: C4H5NO4SMolecular Weight: 163.151800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YGCFIWIQZPHFLU-UHFFFAOYSA-N

• Acesulfame Potassium
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: C4H4KNO4SMolecular Weight: 201.242160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-M

• Acetanilide
IUPAC Name: N-phenylacetamide | CAS Registry Number: 103-84-4
Synonyms: acetanilide, N-Phenylacetamide, Antifebrin, Acetylaniline, Acetanilid, Acetanil, Acetamidobenzene, N-Acetylaniline, Acetoanilide, Phenalgene, Phenalgin, Acetylaminobenzene, Acetic acid anilide, Ethananilide, Acetamide, N-phenyl-, 2-Acetanilide, N-acetylarylamine, Aniline, N-acetyl-, Benzenamine, N-acetyl-, N-Acetylaminobenzene

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N

• Acetic acid, [(4,5-dihydro-2-thiazolyl)thio]-, methyl ester
IUPAC Name: methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate | CAS Registry Number: 22623-64-9
Synonyms: Methyl 2-[2-thiazolin-2-ylthio]acetate, AC1LC5IO, CTK0I8397, AKOS003901548, Methyl (4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate, methyl 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetate

Molecular Formula: C6H9NO2S2Molecular Weight: 191.271160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SNDXDCSLMVEGHZ-UHFFFAOYSA-N

• Acetoacet Monomethylamide
IUPAC Name: N-methyl-3-oxobutanamide | CAS Registry Number: 20306-75-6
Synonyms: N-Methyl-3-oxobutyramide, Acetoacet-monomethylamide, N-Monomethylacetoacetamide, N-methyl-3-oxobutanamide, Butanamide, N-methyl-3-oxo-, EINECS 243-723-9, SD 9112, ZINC02584574, LS-190477, LS-190723, LS-194450

Molecular Formula: C5H9NO2Molecular Weight: 115.130460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ATWLCPHWYPSRBQ-UHFFFAOYSA-N

• Acetoacet O-Chloranilide
IUPAC Name: N-(2-chlorophenyl)-3-oxobutanamide | CAS Registry Number: 93-70-9
Synonyms: AAoC, o-Chloroacetoacetanilide, Acetoacet-o-chloranilide, o-Acetoacetochloroanilide, Acetoacet-o-chloroanilide, 2'-Chloroacetoacetanilide, o-Acetoacetochloranilide, Acetoacetyl-o-chloroanilide, Acetoacet-o-chloroacetanilide, Acetoacetyl-2-chloroanilide, N-Acetoacetyl-2-chloroaniline, Acetoacetanilide, o-chloro-, Maybridge1_002473, N-(2-Chlorophenyl)acetoacetamide, ACETOACETANILIDE, 2'-CHLORO-, DivK1c_001225, Butanamide, N-(2-chlorophenyl)-3-oxo-, NSC 3913, EINECS 202-269-1, 3-Oxo-N-(2-chlorophenylbutanamide)

Molecular Formula: C10H10ClNO2Molecular Weight: 211.644900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFVHBHKMLIBQNN-UHFFFAOYSA-N

• Acetoacet P-Anisidine
IUPAC Name: N-(4-methoxyphenyl)-3-oxobutanamide | CAS Registry Number: 5437-98-9
Synonyms: p-Acetoacetanisidine, p-ACETOACETANISIDIDE, para-Acetoacetanisidide, Acetoacet-p-anisidide, 4'-Methoxyacetoacetanilide, Maybridge1_001183, Acetoacetanilide, 4'-methoxy-, N-(4-Methoxyphenyl)acetoacetamide, Butanamide, N-(4-methoxyphenyl)-3-oxo-, N-(4-Methoxyphenyl)-3-oxobutanamide, EINECS 226-615-6, NSC 16508, Butanamide, N-(4-methoxyphenyl)-oxo-, NSC 116392, NSC 216130, NSC16508, BRN 2213866, NSC116392, NSC216130, ZINC00056480

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SWAJJKROCOJICG-UHFFFAOYSA-N

• Acetoacet P-Phenetidine
IUPAC Name: N-(4-ethoxyphenyl)-3-oxobutanamide | CAS Registry Number: 122-82-7
Synonyms: Acetoacet-p-phenetidide, Acetoacet-p-phenetide, p-Acetoacetophenetidide, 4-Ethoxyacetoacetanilide, 4'-Ethoxyacetoacetanilide, Acetoacetic acid p-phenetidide, Acetoacetic acid p-phenetide, Acetoacetic acid, p-phenetidide, CBMicro_044781, Acetoacetanilide, 4'-ethoxy-, WLN: 2OR DMV1V1, p-Acetoacetophenetidide (8CI), EINECS 204-577-1, N-(4-Ethoxyphenyl)-3-oxobutanamide, NSC 50630, NSC50630, BRN 1460198, BUTANAMIDE, N-(4-ETHOXYPHENYL)-3-OXO-, ZINC00449285, LS-13060

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WWROGCAUSKGAMX-UHFFFAOYSA-N

• Acetoacet-2,5-Dimethoxyanilide
IUPAC Name: N-(2,5-dimethoxyphenyl)-3-oxobutanamide | CAS Registry Number: 6375-27-5
Synonyms: Acetoacet-2,5-dimethoxyanilide, 2',5'-Dimethoxyacetoacetanilide, Acetoacetyl-2,5-dimethoxyanilide, NSC50634, EINECS 228-936-7, Acetoacetanilide, 2',5'-dimethoxy-, NSC 50634, ZINC00282551, BAS 00441193, Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-, N-(2,5-dimethoxyphenyl)-3-oxobutanamide, ST5447066, Acetoacetanilide, 2',5'-dimethoxy- (8CI), N-(2,5-Dimethoxy-phenyl)-3-oxo-butyramide

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PJFIAKRRJLGWMD-UHFFFAOYSA-N

• Acetoacet-M-Xylidide
IUPAC Name: N-(2,4-dimethylphenyl)-3-oxobutanamide | CAS Registry Number: 97-36-9
Synonyms: Acetoacet-m-xylidide, m-Acetoacetoxylidide, Acetoaceto-m-xylidide, Acetoacetyl-m-xylidide, 2,4-Acetoacetxylidide, 2,4-Acetoacetoxylidide, 2',4'-Acetoacetoxylidide, Acetoacetic acid m-xylidide, 2,4-Dimethylacetoacetanilide, N-Acetoacetyl-2,4-xylidine, 2',4'-Dimethylacetoacetanilide, NSC8398, ZINC00056822, 1-Acetoacetylamino-2,4-dimethylbenzene, NCGC00164201-01, ST5307415, Butanamide, N-(2,4-dimethylphenyl)-3-oxo-

Molecular Formula: C12H15NO2Molecular Weight: 205.253000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HGVIAKXYAZRSEG-UHFFFAOYSA-N

• Acetoacetic-O-Toluidine
IUPAC Name: N-(2-methylphenyl)-3-oxobutanamide | CAS Registry Number: 93-68-5
Synonyms: O-Acetoacetotoluidide, Acetoacet-o-toluidide, Acetoacet-o-toluidine, 2-Acetoacetylaminotoluene, 2'-Methylacetoacetanilide, Acetoacetyl-2-methylanilide, Acetoaceto-ortho-toluidide, N-Acetoacetyl-o-toluidine, Butanamide, N-(2-methylphenyl)-3-oxo-, CCRIS 7750, WLN: 1V1VMR B, ACETOACETIC-O-TOLUIDIDE, N-(2-Methylphenyl)-3-oxobutanamide, ARONIS007506, NSC 7655, EINECS 202-267-0, NSC7655, BRN 2099098, ZINC00439455, AI3-08708

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TVZIWRMELPWPPR-UHFFFAOYSA-N

• Acetoacetyl O-Anisidine
IUPAC Name: N-(2-methoxyphenyl)-3-oxobutanamide | CAS Registry Number: 92-15-9
Synonyms: O-ACETOACETANISIDIDE, Acetoacet-o-anisidide, Acetoacetyl-o-anisidide, Acetoacetyl-o-anisidine, Acetoacetyl-o-aniside, o-Methoxyacetoacetanilide, 2-Acetoacetylaminoanisole, 2-Methoxyacetoacetanilide, o-Anisidine, acetoactyl-, Acetoacet-o-anisidin, N-Acetoacetyl-o-anisidine, Acetoacetic acid o-anisidide, 2'-Methoxyacetoacetanilide, o-Anisidine, acetoacetyl-, Acetoacet-o-anisidin [Czech], A8759_ALDRICH, o-Acetoacetanisidide (8CI), Butanamide, N-(2-methoxyphenyl)-3-oxo-, WLN: 1V1VMR BO1, 1-Acetoacetylamino-2-methoxybenzene

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KYYRTDXOHQYZPO-UHFFFAOYSA-N

• Acetophenone
IUPAC Name: 1-phenylethanone | CAS Registry Number: 98-86-2
Synonyms: ACETOPHENONE, 1-Phenylethanone, Acetylbenzene, Methyl phenyl ketone, Acetophenon, Hypnone, Benzoyl methide, Phenyl methyl ketone, Ethanone, 1-phenyl-, Acetylbenzol, Benzoylmethide, Hypnon, Phenyl, Benzene, acetyl-, methylphenylketone, phenylmethylketone, 1-Phenyl-1-ethanone, Acetofenon [Czech], Ketone, methyl phenyl, 1-phenylethan-1-one

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N

• Acetyl Butyryl
IUPAC Name: hexane-2,3-dione | CAS Registry Number: 3848-24-6
Synonyms: Acetylbutyryl, Acetyl butyryl, Butyryl acetyl, 2,3-HEXANEDIONE, Methyl propyl diketone, FEMA No. 2558, W255807_ALDRICH, 144169_ALDRICH, EINECS 223-350-8, NSC 31665, NSC31665, BRN 1699896, ZINC01663923, AI3-35989, LS-2795, 4-01-00-03687 (Beilstein Handbook Reference), C043231

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MWVFCEVNXHTDNF-UHFFFAOYSA-N

• Acetylacetonato-dicarbonyl-rhodium(I)
IUPAC Name: carbon monoxide;(Z)-4-hydroxypent-3-en-2-one;rhodium | CAS Registry Number: 14874-82-9
Synonyms: (Acetylacetonato)dicarbonylrhodium(I), Rhodium(I) dicarbonyl acetylacetonate, Dicarbonylrhodium(I) 2,4-pentanedionate, Rh(CO)2acac, 288101_ALDRICH, Dicarbonyl-acetylacetonato-rhodium(I), SC10372, O524, ACETYLACETONATORHODIUM(I) DICARBONYL, DICARBONYLACETYLACETONATO RHODIUM(I), RHODIUM I DICARBONYL 2,4-PENTANEDIONATE, DICARBONYL(2,4-PENTANEDIONATO)RHODIUM(I)

Molecular Formula: C7H8O4RhMolecular Weight: 259.041520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GGRQQHADVSXBQN-FGSKAQBVSA-N

• Acetylleucine
IUPAC Name: 2-acetamido-4-methylpentanoic acid | CAS Registry Number: 99-15-0
Synonyms: Tanganil, acetyl-L-leucine, N-Acetylleucine, N-Acetyl-DL-leucine, L-Leucine, N-acetyl-, Tanganil (TN), N-Acetyl-L-leucine, Acetylleucine (INN), Acetylleucine [INN], DL-Leucine, N-acetyl-, Acetileucina [Spanish], Acetylleucinum [Latin], (R,S)-N-Acetylleucin, Leucine, N-acetyl-, L-, Leucine, N-acetyl-, DL-, Oprea1_806534, A1001_SIGMA, EINECS 202-734-9, NSC122020, NSC203436

Molecular Formula: C8H15NO3Molecular Weight: 173.209600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WXNXCEHXYPACJF-UHFFFAOYSA-N

• Acetylspiramycin
IUPAC Name: [(1R,5R,7E,9E,11R,12R,14R,15S,16S)-15-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-16-methoxy-5,12-dimethyl-3-oxo-14-(2-oxoethyl)-4-oxa-1-yl] acetate | CAS Registry Number: 24916-51-6
Synonyms: Spiramycin II, acetylspiramycin, Foromacidine B, Foromacidin B, Spiramycin B, Acetylspiramycinum, Spiramycin 2, Acetylspiramycin (TN), Acetylspiramycin (JP15), C45H76N2O15, LMPK01000054, LS-145762, C12891, D02420, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, 3-acetate, (9(2R,5S,6R))-, 1403-58-3, 1405-26-1, 18810-02-1

Molecular Formula: C45H76N2O15Molecular Weight: 885.089340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 17

InChIKey: ZPCCSZFPOXBNDL-RSMXASMKSA-N

• Acid Black 29 (CAS: 12217-14-0)
• Acid Brown 191 (CAS: 61724-16-1)
• Acid Brown 283 (CAS: 12219-66-8)
• Acid Orange 67
IUPAC Name: sodium 4-[3-[2-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenylanilino]-3-nitrobenzenesulfonate | CAS Registry Number: 12220-06-3
Synonyms: C.I. ACID ORANGE 67, CID25531, EINECS 235-406-9, 138069-17-7, 60058-20-0, Benzenesulfonic acid, 4-((4-((2-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)phenyl)amino)-3-nitro-, monosodium salt, Benzenesulfonic acid, 4-((4-(2-(2-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-3-nitro-, sodium salt (1:1), Sodium 4-(4-((2-methyl-4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)anilino)-3-nitrobenzenesulphonate

Molecular Formula: C26H21N4NaO8S2Molecular Weight: 604.586710 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: GNFJBURFXWYRQN-UHFFFAOYSA-M

• Acid orange 7
IUPAC Name: sodium 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate | CAS Registry Number: 633-96-5
Synonyms: Naphthol orange, Acid Orange A, Orange II, Colacid Orange, Persian Orange, Fenazo Orange, Curol Orange, Solar Orange, Acid Orange, Acid orange ii, Mandarin G, Tropaeolin OOO, Amacid Orange Y, Orange Y, Orange Extra N, Orange Extra P, Kiton Orange II, Perca Orange GR, Lake Orange A, Orange YA

Molecular Formula: C16H11N2NaO4SMolecular Weight: 350.324310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IGQFKZCLTLAWLO-HYNBPGMHSA-M

• Acid Red 114
IUPAC Name: disodium (8Z)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate | CAS Registry Number: 6459-94-5
Synonyms: C.I. Acid Red 114, Elcacid Milling Fast Red RS, CID5360191, NCGC00091323-01, C.I. 23635, C.I. 23635,, disodium 8-[(Z)-{3,3'-dimethyl-4'-[(Z)-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl]-7-hydroxynaphthalene-1,3-disulfonate

Molecular Formula: C37H28N4Na2O10S3Molecular Weight: 830.813560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 14

InChIKey: PVLKQJLDEXCKNY-BSSRIQHJSA-L

• Acid Red 266
IUPAC Name: sodium 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate | CAS Registry Number: 57741-47-6
Synonyms: ACID RED 266, EINECS 260-925-2, CID5361245, 12217-37-7, 2-Naphthalenesulfonic acid, 6-amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxy-, monosodium salt, 2-Naphthalenesulfonic acid, 6-amino-5-(2-(4-chloro-2-(trifluoromethyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:1), 6-Amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxy-2-naphthalenesulfonic acid, monosodium salt, 6-Amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxy-2-naphthalenesulfonic acid, sodium salt, Sodium 6-amino-5-((4-chloro-2-(trifluoromethyl)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate

Molecular Formula: C17H10ClF3N3NaO4SMolecular Weight: 467.781980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: DDZWZGVFWCSPRV-UHFFFAOYSA-M

• Acid Red 88
IUPAC Name: sodium 4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]naphthalene-1-sulfonate | CAS Registry Number: 1658-56-6
Synonyms: Roccelline, Rocceline, Peony, Toyo roccelline, Nitto roccelline, Roccelline A, Roccelline G, Roccelline K, Roccelline L, Roccelline S, Roccelline KG, Roccelline NS, Acid cardinal G, Anthrosin BRX, Kayaku roccelline, Airedale Red A, Brasilan Red S, Vondacid Red GN, Eriosin roccelline, Lurazol Red E

Molecular Formula: C20H13N2NaO4SMolecular Weight: 400.382990 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YCRBPWIFISBYGJ-QPNALZDCSA-M

• Acrolein Dimethyl Acetal
IUPAC Name: 3,3-dimethoxyprop-1-ene | CAS Registry Number: 6044-68-4
Synonyms: 3,3-Dimethoxypropene, 3,3-Dimethoxypropene-1, 1-Propene, 3,3-dimethoxy-, Acrolein dimethyl acetal, Acrolein,dimethyl acetal, 3,3-Dimethoxy-1-propene, 190543_ALDRICH, WLN: 1OYO1&1U1, EINECS 227-936-4, NSC 84156, NSC84156, BRN 1700037, ZINC00404650, AI3-37780, LS-123471, 4-01-00-03437 (Beilstein Handbook Reference)

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OBWGMYALGNDUNM-UHFFFAOYSA-N

• Acroleine Diethyl Acetal
IUPAC Name: 3,3-diethoxyprop-1-ene | CAS Registry Number: 3054-95-3
Synonyms: Acrolein acetal, diethoxypropene, Acrolein diethyl acetal, 3,3-Diethoxypropene, Acrolein diethylacetal, Acrolein, diethyl acetal, Propenal diethyl acetal, 3,3-Diethoxy-1-propene, Acrolein, diethylacetal, 1,1-Diethoxy-2-propene, Acrylaldehyde diethyl acetal, 2-Propenal diethyl acetal, 3,3-diethoxyprop-1-ene, 1-PROPENE, 3,3-DIETHOXY-, 3,3-bis(ethyloxy)prop-1-ene, CCRIS 3496, A24001_ALDRICH, Acrolein, diethyl acetal (8CI), EINECS 221-276-0, NSC 60135

Molecular Formula: C7H14O2Molecular Weight: 130.184860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MCIPQLOKVXSHTD-UHFFFAOYSA-N

• Acs-Pnz-Pyrrolidyl-(boc)-Nso2nh2
IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[[(2-methylpropan-2-yl)oxycarbonyl-sulfamoylamino]methyl]pyrrolidine-1-carboxylate | CAS Registry Number: 491878-06-9
Synonyms: Doripenem side-chain, 4-Nitrobenzyl (2S,4S)-4-acetylthio-2-[[N-sulfamoyl-N-(tert-butoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate, MolPort-020-008-107, AKOS015895484, RL03808, AK-49160, BR-49160, FT-0652014, ST51052964, I06-1122, 1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-[[(aminosulfonyl)[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (4-nitrophenyl)methyl ester, (2S,4S)-

Molecular Formula: C20H28N4O9S2Molecular Weight: 532.587720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 11

InChIKey: JECWBBGYVBPHIH-IRXDYDNUSA-N

• Activated Gluteraldehyde
IUPAC Name: pentanedial | CAS Registry Number: 111-30-8
Synonyms: glutaraldehyde, Pentanedial, Glutaral, Sonacide, Glutarol, Ucarcide, Aldesan, Alhydex, Hospex, Cidex, Glutardialdehyde, Gluteraldehyde, Aldesen, Glutaric dialdehyde, Glutaric aldehyde, 1,5-Pentanedial, Glutaraldehyd, Mixture Name, Sterihyde L, 1,3-Diformylpropane

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SXRSQZLOMIGNAQ-UHFFFAOYSA-N

• ADC-13
IUPAC Name: (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 74288-40-7
Synonyms: p-Nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate, p-Nitrobenzyl 6-(1'-Hydroxyethyl)-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate, p-Nitrobenzyl 6-(1-hydroxyethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione-2-carboxylate, P-nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0) Heptane-3,7-dione-2-carboxylate, (5R,6S)-4-Nitrobenzyl 6-((R)-1-hydroxyethyl)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate, PubChem20006, UNII-V9J4CAR06A, SureCN3902557, CTK8B2904, MolPort-003-849-410, ACT02679, ANW-41296, ZINC22001722, AKOS015950836, AG-G-95228, AC-15432, AK128816, M835, AB1004612, KB-208816

Molecular Formula: C16H16N2O7Molecular Weight: 348.307440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YBIDYTOJOXKBLO-USLOAXSXSA-N

• Adefovir
IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid | CAS Registry Number: 106941-25-7
Synonyms: ADEFOVIR, PMEA, Adefovir [USAN:INN], 9-PMEA, Adefovir (USAN/INN), 9-(2-Phosphonylmethoxyethyl)adenine, GS 393, C8H12N5O4P, 9-(2-phosphonomethoxyethyl)adenine, DRG-0156, N-(2-Phosphonylmethoxyethyl)adenine, GS 0393, 9-(2-(Phosphonomethoxy)ethyl)adenine, AIDS000048, AIDS-000048, CID60172, GS-0393, 9-(2-Phosphorylmethoxyethyl)adenine, 9-[2-Phosphonylmethoxyethyl]adenine, BRN 3561094

Molecular Formula: C8H12N5O4PMolecular Weight: 273.185741 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUPKOOSCJHTBAH-UHFFFAOYSA-N

• Adefovir dipivoxil
IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate | CAS Registry Number: 142340-99-6
Synonyms: Hepsera, Preveon, Adefovir pivoxil, ADEFOVIR DIPIVOXIL, Adefovirdipivoxl, YouHeDing, adefovir depivoxil, Bis(pom)PMEA, Hepsera (TN), Piv2PMEA, ADEFOVIR, bis-POM PMEA, PMEA, Bis(POM)-PMEA, Ambap2538, Adefovir pivoxil (JAN), Adefovir dipivoxil (USAN), C20H32N5O8P, GS 840, GS-840

Molecular Formula: C20H32N5O8PMolecular Weight: 501.470541 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 13

InChIKey: WOZSCQDILHKSGG-UHFFFAOYSA-N

• Adipoyl Chloride
IUPAC Name: hexanedioyl dichloride | CAS Registry Number: 111-50-2
Synonyms: Adipoyl chloride, Adipyl chloride, Adipoyl dichloride, HEXANEDIOYL DICHLORIDE, 165212_ALDRICH, 02190_FLUKA, CID61034, EINECS 203-876-4, AI3-52262, InChI=1/C6H8Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H

Molecular Formula: C6H8Cl2O2Molecular Weight: 183.032520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PWAXUOGZOSVGBO-UHFFFAOYSA-N

• Adrenal
IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

• AI3-17671
IUPAC Name: N-(4-chlorophenyl)-3-oxobutanamide | CAS Registry Number: 101-92-8
Synonyms: 4'-Chloroacetoacetanilide, Acetoacet-p-chloroanilide, p-Chlorodiacetanilide, Acetoacetanilide, 4'-chloro-, Acetoacetyl-4-chloroanilide, Acetoacetanilide, p-chloro-, P-CHLOROACETOACETANILIDE, Maybridge1_003854, N-(4-Chlorophenyl)acetoacetamide, WLN: GR DMV1V1, Butanamide, N-(4-chlorophenyl)-3-oxo-, HSDB 2709, 133655_ALDRICH, NSC 3544, EINECS 202-989-6, N-(4-Chlorophenyl)-3-oxobutanamide, NSC3544, BRN 1819161, SBB003431, ZINC00049123

Molecular Formula: C10H10ClNO2Molecular Weight: 211.644900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JMRJWEJJUKUBEA-UHFFFAOYSA-N

• AICAR
IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide | CAS Registry Number: 2627-69-2
Synonyms: ACADESINE, AICA-riboside, Arasine, Protara, AIC-Riboside, Z-Riboside, AICA riboside, AICA, Acadesine (USAN/INN), Acadesinum [INN-Latin], Acadesina [INN-Spanish], Acadesine [USAN:BAN:INN], AIDS016108, AIDS-016108, EINECS 220-097-5, HSCI1_000213, NSC105823, GP-1-110, NSC 105823, 5-Aminoimidazole-4-carboxamide riboside

Molecular Formula: C9H14N4O5Molecular Weight: 258.231260 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-N

• Alagebrium chloride
IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone chloride | CAS Registry Number: 341028-37-3
Synonyms: Alagebrium chloride (USAN), UNII-79QS8K2877, ALT 711, CID216306, LS-192833, D03206, 4,5-Dimethyl-3-(2-oxo-2-phenylethyl)thiazolium chloride, Thiazolium, 4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chloride

Molecular Formula: C13H14ClNOSMolecular Weight: 267.774360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKOMESMZHZNBIZ-UHFFFAOYSA-M

• Aldosterone
IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde | CAS Registry Number: 52-39-1
Synonyms: ALDOSTERONE, Electrocortin, Aldocortin, Elektrocortin, Aldocorten, Aldocortene, d-Aldosterone, Reichstein X, (+)-Aldosterone, 18-Oxocorticosterone, 18-Aldocorticosterone, Aldosteronum [INN-Latin], Aldosterona [INN-Spanish], MLS001333163, MLS001333164, A9477_SIGMA, Aldosterone [BAN:DCF:INN], Aldosterone [INN:BAN:DCF], NSC 73856, CHEBI:27584

Molecular Formula: C21H28O5Molecular Weight: 360.444020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N

• Alitame anhydrous
IUPAC Name: (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid | CAS Registry Number: 80863-62-3
Synonyms: Alitame, UNII-PCE8DAE750, CID64763, D-Alaninamide, L-alpha-aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-, L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide

Molecular Formula: C14H25N3O4SMolecular Weight: 331.431000 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IVBOUFAWPCPFTQ-SFYZADRCSA-N

• Allyl Bromide
IUPAC Name: 3-bromoprop-1-ene | CAS Registry Number: 106-95-6
Synonyms: Bromallylene, 3-Bromopropene, ALLYL BROMIDE, 3-Bromopropylene, 3-Bromo-1-propene, Propene, 3-bromo-, 1-Propene, 3-bromo-, 2-Propenyl bromide, 1-Bromo-2-propene, 3-bromoprop-1-ene, HSDB 622, A29585_ALDRICH, WLN: E2U1, 337528_ALDRICH, CCRIS 9049, NSC 7596, 05860_FLUKA, EINECS 203-446-6, NSC7596, UN1099

Molecular Formula: C3H5BrMolecular Weight: 120.975800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

• Allyl Glycidyl Ether
IUPAC Name: 2-(prop-2-enoxymethyl)oxirane | CAS Registry Number: 106-92-3
Synonyms: Neoallyl G, Santolin XI, ALLYL GLYCIDYL ETHER, Epiol A, Glycidyl allyl ether, Allylglycidaether, Denacol EX 111, Allil-glicidil-etere, Allyl 2,3-epoxypropyl ether, Allylglycidaether [German], Poly(allyl glycidyl ether), 1,2-Epoxy-3-allyloxypropane, 1-Allyloxy-2,3-epoxypropane, Allyl glycidyl ether polymer, Ether, allyl 2,3-epoxypropyl, Ether, poly(allyl-glycidyl), Allyl glycidyl ether oligomer, 2-[(Allyloxy)methyl]oxirane, PAGE 10, Propane, 1-(allyloxy)-2,3-epoxy-

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSWYGACWGAICNM-UHFFFAOYSA-N

• Allyl Propyl Disulfide
IUPAC Name: 3-propyldisulfanylprop-1-ene | CAS Registry Number: 2179-59-1
Synonyms: 4,5-Dithia-1-octene, ALLYL PROPYL DISULFIDE, Allyl propyl disulphide, APDS, Disulfide, allyl propyl, Propenyl propyl disulfide, Disulfide, 2-propenyl propyl, CCRIS 4571, 3-(propyldithio)prop-1-ene, HSDB 2519, EINECS 218-550-7, CID16591, BRN 1744005, ZINC02038819, LS-1011, 4-01-00-02098 (Beilstein Handbook Reference)

Molecular Formula: C6H12S2Molecular Weight: 148.289480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FCSSPCOFDUKHPV-UHFFFAOYSA-N

• Allylboronic acid piracol ester
IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane | CAS Registry Number: 72824-04-5
Synonyms: Pinacol allylboronate, Allylboronic acid pinacol ester, 324647_ALDRICH, Allylboronic acid pinacol cyclic ester, A1135G1, ST5408244, 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Molecular Formula: C9H17BO2Molecular Weight: 168.041080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YMHIEPNFCBNQQU-UHFFFAOYSA-N

• Allyldiphenylphosphine
IUPAC Name: diphenyl(prop-2-enyl)phosphane | CAS Registry Number: 2741-38-0
Synonyms: Allyl(diphenyl)phosphine, Diphenyl-2-propenylphosphine, 336874_ALDRICH, NSC180819, NSC616248, AIDS130896, AIDS-130896, CID137699

Molecular Formula: C15H15PMolecular Weight: 226.253361 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PDDYFPPQDKRJTK-UHFFFAOYSA-N

• Allyloxycarbonyl succinimidyl ester
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) prop-2-enyl carbonate | CAS Registry Number: 135544-68-2
Synonyms: N-(Allyloxycarbonyloxy)succinimide, Alloc-OSu, AmbotzRL-1108, ACMC-209c3r, AGN-PC-00G6PQ, Allyl N-Sccinimidyl Carbonate, Allyl N-Succinimidyl Carbonate, CTK8B0450, ANW-19957, AKOS006282311, RL01598, AB1011486, B-2104, I14-16308, 2,5-Pyrrolidinedione, 1-[[(2-propenyloxy)carbonyl]oxy]-

Molecular Formula: C8H9NO5Molecular Weight: 199.160760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OIXALTPBNZNFLJ-UHFFFAOYSA-N


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