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• D-2-Methylbutyric Acid
IUPAC Name: (2S)-2-methylbutanoic acid | CAS Registry Number: 1730-91-2
Synonyms: 2-Methylbutanoic acid, (S)-2-methylbutyric acid, Butanoic acid, 2-methyl-, (S)-2-methylbutanoic acid, (2S)-2-methylbutanoic acid, 245526_ALDRICH, (S)-()-2-Methylbutyric acid, CHEBI:38655, InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7, SMB, 116-53-0

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WLAMNBDJUVNPJU-BYPYZUCNSA-N

• D-Alpha-Pinene
IUPAC Name: (1S,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 7785-26-4
Synonyms: (-)-alpha-Pinene, ALPHA-PINENE (DL), (1S,5S)-pin-2-ene, (-)-(1S,5S)-alpha-pinene, CHEBI:28660, BB_NC-0755, CPD-4892, (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene, C06308, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-, InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H, 80-56-8

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N

• D-Bicuculline
IUPAC Name: (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one | CAS Registry Number: 485-49-4
Synonyms: bicuculline, Bicculine, d-Bicuculline, Bicucullin, Bicuculline (+), ()-Bicuculline, Prestwick_96, (+)-Bicuculline, Prestwick0_000589, Prestwick1_000589, Prestwick2_000589, Prestwick3_000589, Biomol-NT_000252, Lopac0_000234, BSPBio_000438, MLS002153892, DivK1c_000609, SPBio_002657, BPBio1_000482, BPBio1_000794

Molecular Formula: C20H17NO6Molecular Weight: 367.352080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N

• D-Mannitol Diacetonide
IUPAC Name: (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol | CAS Registry Number: 1707-77-3
Synonyms: D-Mannitol diacetonide, Diisopropylidene mannitol, 296406_ALDRICH, 38410_FLUKA, CID96011, EINECS 216-954-8, ZINC04521410, 1,2:5,6-Di-O-isopropylidene-D-mannitol, ST5408125, 1,2-5,6-DI-0-ISOPROPYLIDENE-D-MANNITOL

Molecular Formula: C12H22O6Molecular Weight: 262.299480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ODYBCPSCYHAGHA-ZYUZMQFOSA-N

• Deferiprone
IUPAC Name: 3-hydroxy-1,2-dimethylpyridin-4-one | CAS Registry Number: 30652-11-0
Synonyms: deferiprone, Ferriprox, Deferum, Kelfer, Hdpp, Hdmpp cpd, L1 oral chelate, Ferriprox (TN), Deferiprone (INN), DMHP, DMOHPO, CP20, Deferiprone [BAN:INN], CP20 (Chelating agent), Chiesi brand of deferiprone, MLS000069481, MLS000758227, 1,2-Dimethyl-3-hydroxypyrid-4-one, 3-Hydroxy-1,2-dimethyl-4(1H)-pyridone, 379409_ALDRICH

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TZXKOCQBRNJULO-UHFFFAOYSA-N

• Deoxycytidine-5'-monophosphoric acid
IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 1032-65-1
Synonyms: Deoxycytidylate, deoxycytidylic acid, dCMP, 1nja, 1njc, 1nje, Poly dC, deoxycytidine monophosphate, poly(dC), deoxycytidine-phosphate, Polydeoxycytidylic acid, 2'-Deoxycytidine 5'-monophosphate, 2'-deoxy-5'-cytidylic acid, D7750_SIGMA, 2'-deoxycytidine-5'-phosphate, 5'-Cytidylic acid, 2'-deoxy-, CHEBI:15918, 2'-deoxycytosine 5'-monophosphate, Cytidine 5'-(dihydrogen phosphate), EINECS 213-849-9

Molecular Formula: C9H14N3O7PMolecular Weight: 307.197121 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: NCMVOABPESMRCP-SHYZEUOFSA-N

• Depofemin
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate | CAS Registry Number: 313-06-4
Synonyms: Depoestradiol, Depoestra, Estradep, Estrapo, estradiol cypionate, Depo-Estradiol, depGynogen, Pertradiol, Estro-Depo, Dep-Estro, Femogen CYP, Depo-Testadiol, Depestro, Lunelle, Neoginon Depositum, Mixture Name, Estradiol 17-cypionate, Depoestradiol cypionate, E. Ionate P.A., E. Ionate P.A

Molecular Formula: C26H36O3Molecular Weight: 396.562240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UOACKFBJUYNSLK-XRKIENNPSA-N

• Diacetone Glucose
IUPAC Name: (3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol | CAS Registry Number: 582-52-5
Synonyms: Diacetoneglucose, ZINC03956910, CID7067560, 1,2,4,6-DIACETONE-D-GLUCOSE

Molecular Formula: C12H20O6Molecular Weight: 260.283600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KEJGAYKWRDILTF-JDDHQFAOSA-N

• Diacetyl Monoxime
IUPAC Name: (3E)-3-hydroxyiminobutan-2-one | CAS Registry Number: 57-71-6
Synonyms: Biacetyl monooxime, Biacetyl monoxime, Diacetylmonoxime, Diacetylmonooxime, Diacetyl monoxime, Diacetyl monooxime, 2,3-butanedione monoxime, DAM (oxime), 2-Oximino-3-butanone, 3-Oximino-2-butanone, 2,3-Butanedione oxime, butanedione monoxime, 2,3-Butanedione, monooxime, 2,3-Butanedione 2-oxime, KBDO, 3-oxo-2-butanone oxime, 2,3-Butanedione 3-monoxime, 2,3-Butanedione monooxime, 2,3-Butanedione-2-monoxime, Isonitrosoethyl methyl ketone

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FSEUPUDHEBLWJY-HWKANZROSA-N

• Dibenzoylmethane
IUPAC Name: 1,3-di(phenyl)propane-1,3-dione | CAS Registry Number: 120-46-7
Synonyms: Rhodiastab 83, Karenzu DK2, 2-Benzoylacetophenone, Dibenzoyl-methane, Phenyl phenacyl ketone, omega-Benzoylacetophenone, 1,3-Propanedione, 1,3-diphenyl-, Spectrum2_000038, Spectrum3_001950, .omega.-Benzoylacetophenone, 1,3-DIPHENYL-1,3-PROPANEDIONE, 1,3-Diphenylpropane-1,3-dione, BSPBio_003550, D33454_ALDRICH, SPECTRUM1505311, SPBio_000135, NSC 6266, EINECS 204-398-9, KBio3_002841, CID8433

Molecular Formula: C15H12O2Molecular Weight: 224.254580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NZZIMKJIVMHWJC-UHFFFAOYSA-N

• Dibenzyl Ketone
IUPAC Name: 1,3-di(phenyl)propan-2-one | CAS Registry Number: 102-04-5
Synonyms: Benzyl ketone, 1,3-Diphenylacetone, DIBENZYL KETONE, 1,3-Diphenylpropanone, 1,3-Diphenyl-2-propanone, 2-Propanone, 1,3-diphenyl-, alpha,alpha'-Diphenylacetone, unsym-DIPHENYLACETONE, FEMA No. 2397, .alpha.,.alpha.'-Diphenylacetone, D204609_ALDRICH, W239704_ALDRICH, 33790_FLUKA, EINECS 203-000-0, NSC4577, NSC 220312, NSC220312, NSC407392, ZINC01679978, AI3-05001

Molecular Formula: C15H14OMolecular Weight: 210.271060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YFKBXYGUSOXJGS-UHFFFAOYSA-N

• Diethyl Amino Ethanol
IUPAC Name: 2-(diethylamino)ethanol | CAS Registry Number: 100-37-8
Synonyms: (Diethylamino)ethanol, Diethylethanolamine, 2-(Diethylamino)ethanol, N,N-Diethylethanolamine, DEAE, 2-Diethylaminoethanol, Diethylamino ethanol, Pennad 150, 2-Hydroxytriethylamine, N,N-Diethyl-2-aminoethanol, N-Diethylaminoethanol, Diethylmonoethanolamine, beta-Hydroxytriethylamine, Diaethylaminoaethanol, DIETHYLAMINOETHANOL, Ethanol, 2-(diethylamino)-, beta-Diethylaminoethanol, 2-N-Diethylaminoethanol, Diethyl(2-hydroxyethyl)amine, N,N-Diethylmonoethanolamine

Molecular Formula: C6H15NOMolecular Weight: 117.189400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFSVOASYOCHEOV-UHFFFAOYSA-N

• Diethylaminoethyl Chloride HCL
IUPAC Name: 2-chloro-N,N-diethylethanamine hydrochloride | CAS Registry Number: 869-24-9
Synonyms: 2-Chlorotriethylamine hydrochloride, D87201_ALDRICH, HSDB 5765, 2-Chlorotriethylaminehydrochloride, Diethylaminoethyl chloride hydrochloride, NSC 2059, WLN: G2N2&2 &GH, 31820_FLUKA, EINECS 212-786-4, 2-Chloroethyldiethylammonium chloride, NSC2059, Triethylamine, 2-chloro-, hydrochloride, N-(2-Chloroethyl)-N,N-diethylamine, (2-Chloroethyl)diethylamine hydrochloride, 2-Chloro-N,N-diethylethylamine hydrochloride, beta-Chloroethyldiethylamine hydrochloride, N,N-Diethylaminoethyl chloride hydrochloride, (2-Chloroethyl)diethylamine monohydrochloride, (2-Chlorotriethyl)amine hydrochloride, 2-Chloro-N,N-diethylethanamine hydrochloride

Molecular Formula: C6H15Cl2NMolecular Weight: 172.096000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RAGSWDIQBBZLLL-UHFFFAOYSA-N

• Diisobutylene
IUPAC Name: 2,4,4-trimethylpent-1-ene | CAS Registry Number: 107-39-1
Synonyms: Diisobutene, alpha-Diisobutylene, 1-Pentene, 2,4,4-trimethyl-, 2,2,4-Trimethyl-4-pentene, 2,4,4-Trimethylpent-1-ene, Pentene, 2,4,4-trimethyl-, 1-Methyl-1-neopentylethylene, 2,4,4-TRIMETHYL-1-PENTENE, T78409_ALDRICH, 2,4,4-TRIMETHYLPENTENE, HSDB 1442, 443018_ALDRICH, CCRIS 9103, 38180_FLUKA, EINECS 203-486-4, EINECS 246-690-9, CID7868, NSC8701, NSC 73942, UN2050

Molecular Formula: C8H16Molecular Weight: 112.212640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N

• Dimethyl Hexynediol
IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol | CAS Registry Number: 142-30-3
Synonyms: Dimethylhexynediol, Acetylenepinacol, Kemitracin-50, Olfine Y, Tetramethylbutynediol, Tetramethyl-2-butynediol, 3-Hexyne-2,5-diol, 2,5-dimethyl-, 2,5-Dimethylhexyne-2,5-diol, HSDB 5639, D 43, 2,5-DIMETHYL-3-HEXYNE-2,5-DIOL, 222623_ALDRICH, D 43 (VAN), EINECS 205-533-4, ZERO/001274, NSC8340, AIDS017555, NSC 117261, 2,5-dimethylhex-3-yne-2,5-diol, AIDS-017555

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N

• Dinitro Toluene
IUPAC Name: 1-methyl-2,4-dinitrobenzene | CAS Registry Number: 121-14-2
Synonyms: 2,4-DINITROTOLUENE, 2,4-Dinitrotoluol, Dinitrotoluol, 1-Methyl-2,4-dinitrobenzene, DINITROTOLUENE, Toluene, 2,4-dinitro-, 2,4-Dinitromethylbenzene, 2,4-DNT, nchembio882-comp9, Benzene, 1-methyl-2,4-dinitro-, Benzene, methyldinitro-, Dinitrotoluene, 2,4-, RCRA waste no. U105, RCRA waste number U105, 2,4-Dinitro-1-methylbenzene, CCRIS 268, 4-Methyl-1,3-dinitrobenzene, WLN: WNR B1 ENW, NCI-C01865, CHEBI:920

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N

• Dipentene
IUPAC Name: 1-methyl-4-prop-1-en-2-ylcyclohexene | CAS Registry Number: 138-86-3
Synonyms: Cajeputene, Kautschin, LIMONENE, D-Limonene, DL-Limonene, Dipenten, Eulimen, Cinene, Nesol, Cajeputen, Limonen, Cinen, Polydipentene, Polylimonene, Dipanol, Unitene, Inactive limonene, alpha-Limonene, beta-Limonene, Flavor orange

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XMGQYMWWDOXHJM-UHFFFAOYSA-N

• DL-Methyldopa
IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid | CAS Registry Number: 555-29-3
Synonyms: methyldopa, Alphamethyldopa, Dopamethyperpax, Methoplain, Presolisin, Aldometil, Baypresol, Grospisk, Medopren, Metholes, Mulfasin, Presinol, Sedometil, Sembrina, Aldomet, Aldomin, Becanta, Dopamet, Dopatec, Dopegyt

Molecular Formula: C10H13NO4Molecular Weight: 211.214520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: CJCSPKMFHVPWAR-UHFFFAOYSA-N

• Dodap
IUPAC Name: [3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate | CAS Registry Number: 127512-29-2
Synonyms: 9-Octadecenoic acid(9Z)-, 1,1'-[1-[(dimethylamino)methyl]-1,2-ethanediyl] ester, 1,2-DIOLEOYLOXY-3-(DIMETHYLAMINO)PROPANE, ACMC-20msh4, AC1N5LU6, CTK4B5633, AG-D-57278, [3-(dimethylamino)-2-octadec-9-enoyloxypropyl] octadec-9-enoate, 9-Octadecenoicacid (9Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediyl ester (9CI);9-Octadecenoic acid (Z)-, 1-[(dimethylamino)methyl]-1,2-ethanediyl ester;1,2-Di(oleoyloxy)-3-(dimethylamino)propane; DODAP

Molecular Formula: C41H77NO4Molecular Weight: 648.054380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NYDLOCKCVISJKK-UHFFFAOYSA-N

• DPG
IUPAC Name: 1,2-di(phenyl)guanidine | CAS Registry Number: 102-06-7
Synonyms: Vulkazit, Melaniline, Denax, Accelerator D, Diphenylguanidine, 1,3-Diphenylguanidine, Vulkacite D, Nocceler D, Vulkacit D, Vulcafor DPG, DPG accelerator, s-Diphenylguanidine, Vulkacit D/C, Denax DPG, Sanceler D, Vulcacid D, Soxinol D, Guanidine, N,N'-diphenyl-, Guanidine, 1,3-diphenyl-, N,N'-DIPHENYLGUANIDINE

Molecular Formula: C13H13N3Molecular Weight: 211.262420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OWRCNXZUPFZXOS-UHFFFAOYSA-N

• Estradiol Enanthate
IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate | CAS Registry Number: 4956-37-0
Synonyms: ESTRADIOL ENANTHATE, Estradiol 17-heptanoate, Estradiol enanthate (USAN), Estradiol enanthate [USAN], CID21070, EINECS 225-599-8, SQ 16,150, D04064, Estra-1,3,5(10)-triene-3,17beta-diol 17-heptanoate, (17beta)-3-hydroxyestra-1(10),2,4-trien-17-yl heptanoate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-heptanoate

Molecular Formula: C25H36O3Molecular Weight: 384.551540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RFWTZQAOOLFXAY-BZDYCCQFSA-N

• Ethanedisulfonic Acid
IUPAC Name: ethane-1,2-disulfonate | CAS Registry Number: 110-04-3
Synonyms: ethanedisulfonate, ethane-1,2-disulfonate, ZINC03812991, CPD-10431, CID3647008, EDS

Molecular Formula: C2H4O6S2-2Molecular Weight: 188.179560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: AFAXGSQYZLGZPG-UHFFFAOYSA-L

• Ethanolamines
IUPAC Name: 2-aminoethanol | CAS Registry Number: 141-43-5
Synonyms: Ethanolamine, monoethanolamine, 2-aminoethanol, colamine, Aminoethanol, Glycinol, Ethylolamine, Olamine, 2-Hydroxyethylamine, Ethanol, 2-amino-, beta-Aminoethanol, 2-Amino-1-ethanol, 2-Hydroxyethanamine, beta-Hydroxyethylamine, Thiofaco M-50, 2-Ethanolamine, beta-ethanolamine, beta-Aminoethyl alcohol, 2-Aminoethyl alcohol, MEA (alcohol)

Molecular Formula: C2H7NOMolecular Weight: 61.083080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HZAXFHJVJLSVMW-UHFFFAOYSA-N

• Ethyl Cellosolve
IUPAC Name: 2-ethoxyethanol | CAS Registry Number: 110-80-5
Synonyms: 2-Ethoxyethanol, Cellosolve, Oxitol, Emkanol, Hydroxy ether, Ethyl cellosolve, Ethanol, 2-ethoxy-, Solvulose, Solvid, Dowanol EE, beta-Ethoxyethanol, Cellosolve solvent, Ethyl glycol, Plastiazan 60, Ektasolve EE, Jeffersol EE, Poly-Solv EE, Ethylethylene glycol, Dowanol 8, Celosolv [Czech]

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZNQVEEAIQZEUHB-UHFFFAOYSA-N

• Ethyl Vinyl Alcohol (EVA)
IUPAC Name: pent-1-en-3-ol | CAS Registry Number: 616-25-1
Synonyms: Ethyl vinyl carbinol, 1-PENTEN-3-OL, Vinyl ethyl carbinol, 1-Pentene-3-ol, 1-Ethylallyl alcohol, 1-penten-3-ol (E), alpha-Ethylallyl alcohol, P8602_ALDRICH, W358401_ALDRICH, FEMA No. 3584, 77010_FLUKA, CID12020, NSC65446, EINECS 210-472-1, NSC 65446, AI3-28606, TL8003909, 67928-92-1

Molecular Formula: C5H10OMolecular Weight: 86.132300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VHVMXWZXFBOANQ-UHFFFAOYSA-N

• Ethylene Cyanohydrin
IUPAC Name: 3-hydroxypropanenitrile | CAS Registry Number: 109-78-4
Synonyms: Hydracrylonitrile, 2-Cyanoethanol, 3-Hydroxypropanenitrile, Glycol cyanohydrin, 3-Hydroxypropionitrile, beta-Hpn, Methanolacetonitrile, Cyanoethanol, beta-Cyanoethanol, Hydroxypropanenitrile, 2-Hydroxycyanoethane, beta-Hpn3, Propanenitrile, 3-hydroxy-, 2-Cyanoethyl alcohol, ETHYLENE CYANOHYDRIN, 2-Hydroxyethyl cyanide, .beta.-Cyanoethanol, .beta.-Hpn3, 3-Hydroxypropiononitrile, beta-Hydroxypropionitrile

Molecular Formula: C3H5NOMolecular Weight: 71.077900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N

• Ethylene Phosphorochloridite(2-Chloro-1,3,2-Dioxaphospholane)
IUPAC Name: 2-chloro-1,3,2-dioxaphospholane | CAS Registry Number: 822-39-9
Synonyms: Ethylene chlorophosphite, 2-Chloro-1,3,2-dioxaphospholane, Ethylene cycl-chlorophosphite, 391220_ALDRICH, 24478_FLUKA, CID69973, EINECS 212-499-4, 1,3,2-Dioxaphospholane, 2-chloro-, InChI=1/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H, 103613-07-6

Molecular Formula: C2H4ClO2PMolecular Weight: 126.478721 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OLSFRDLMFAOSIA-UHFFFAOYSA-N

• Fasudil
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | CAS Registry Number: 103745-39-7
Synonyms: Eril, Fasudil [INN], 2esm, 2gni, Fasudil hydrochloride, Fasudilum [INN-Latin], Tocris-0541, 1q8w, BiomolKI_000038, BiomolKI2_000046, Fasudil (HA-1077), ha-1077, BSPBio_001111, KBioGR_000451, KBioSS_000451, AT 877, HA1077, C14H17N3O2S, HA 1077, KBio2_000451

Molecular Formula: C14H17N3O2SMolecular Weight: 291.368680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

• Heptanol
IUPAC Name: heptan-1-ol | CAS Registry Number: 111-70-6
Synonyms: Heptyl alcohol, n-Heptanol, 1-HEPTANOL, Heptan-1-ol, Gentanol, Enanthic alcohol, Hydroxyheptane, 1-Hydroxyheptane, n-Heptyl alcohol, Hydroxy heptane, Hexyl carbinol, Enanthyl alcohol, n-Heptan-1-ol, C7 alcohol, n Heptanol, Alcohol, Heptyl, Alcohol C-7, 1 Heptanol, Fatty alcohol(C7), Pri-n-heptyl alcohol

Molecular Formula: C7H16OMolecular Weight: 116.201340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N

• Hesperetin
IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 520-33-2
Synonyms: hesperetin, Hesperitin, (-)-hesperetin, Prestwick_908, YSO2, Spectrum_000181, Prestwick0_000124, Prestwick1_000124, Prestwick2_000124, Prestwick3_000124, Spectrum2_001793, Spectrum3_001104, Spectrum4_001935, Spectrum5_000683, Oprea1_828704, BSPBio_000168, BSPBio_002808, KBioGR_002311, KBioSS_000661, SPECTRUM310012

Molecular Formula: C16H14O6Molecular Weight: 302.278760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-N

• Hexafluoroisopropanol
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-ol | CAS Registry Number: 920-66-1
Synonyms: HFIP, Hexafluoro-2-propanol, Bis(trifluoromethyl)methanol, 2H-Hexafluoroisopropanol, Hexafluoroisopropyl alcohol, WLN: FXFFYQXFFF, CCRIS 6043, NCIOpen2_001854, 1,1,1,3,3,3-Hexafluoro-2-propanol, 105228_ALDRICH, 2-Propanol, 1,1,1,3,3,3-hexafluoro-, 325244_ALDRICH, 1,1,1,3,3,3-Hexafluoroisopropanol, 52517_FLUKA, EINECS 213-059-4, NSC 96336, NSC96336, 1,1,1,3,3,3-Hexafluoroisopropyl alcohol, BRN 1841007, ZINC03860857

Molecular Formula: C3H2F6OMolecular Weight: 168.037799 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BYEAHWXPCBROCE-UHFFFAOYSA-N

• Hexahydrophthalic Anhydride
IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione | CAS Registry Number: 85-42-7
Synonyms: Lekutherm Hardener H, HHPA, Araldite HT 907, Hexahydrophthalic anhydride, 1,3-Isobenzofurandione, hexahydro-, Hexahydrophthalic acid anhydride, 1,2-Cyclohexanedicarboxylic anhydride, Hexahydro-2-benzofuran-1,3-dione, NT 907, NSC 8622, EINECS 201-604-9, NSC8622, Cyclohexane-1,2-dicarboxylic anhydride, 1,2-Cyclohexanedicarboxylic acid anhydride, EINECS 236-086-3, EINECS 238-009-9, cis-1,2-Cyclohexanedicarboxylic anhydride, cis-Cyclohexane-1,2-dicarboxylic anhydride, 1,3-Isobenzofurandione, hexahydro-, trans-, 1,3-Isobenzofurandione, hexahydro-, cis-

Molecular Formula: C8H10O3Molecular Weight: 154.163200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MUTGBJKUEZFXGO-UHFFFAOYSA-N

• Hexanol
IUPAC Name: hexan-1-ol | CAS Registry Number: 111-27-3
Synonyms: 1-Hexanol, Hexyl alcohol, n-Hexanol, HEXANOL, Pentylcarbinol, Amylcarbinol, Caproyl alcohol, 1-Hexyl alcohol, Hexan-1-ol, 1-Hydroxyhexane, n-Hexyl alcohol, Caproic alcohol, C6 alcohol, n-Hexan-1-ol, Alcohol(C6), Hexanol (VAN), Fatty alcohol(C6), Alcohol C-6, Caswell No. 482E, Hexyl alcohol (natural)

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

• Hydroxypropyl Cyclodextrins
Synonyms: 2-Hydroxypropyl-|A-cyclodextrin, |A-Cyclodextrin 2-Hydroxypropyl Ethers

Molecular Formula: C46H80O36Molecular Weight: 1209.105800 [g/mol]
H-Bond Donor: 22H-Bond Acceptor: 36

InChIKey: VPJCIEQTNHOXSR-KOFUJVCHSA-N

• Hyoscine n-butylbromide
Synonyms: Buscopan, Buscopan (TN), scopolamine butylbromide, Butylscopolamine bromide, Scopolamine butylbromide (JP15), D01451

Molecular Formula: C21H30BrNO4Molecular Weight: 440.371200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HOZOZZFCZRXYEK-OXDSVUBJSA-M

• Ih-Tetrazole-1-Acetic Acid
IUPAC Name: 2-(tetrazol-1-yl)acetic acid | CAS Registry Number: 21732-17-2
Synonyms: Tetrazole-1-acetic acid, Tetrazol-1-yl-acetic acid, 1H-Tetrazol-1-acetic acid, 1H-Tetrazole-1-acetic acid, 1H-Tetraazol-1-ylacetic acid, ZERO/005907, EINECS 244-551-7, UN0407, BAS 04444160, AG-664/25040001, Tetrazol-1-acetic acid [UN0407] [Explosive 1.4C]

Molecular Formula: C3H4N4O2Molecular Weight: 128.089460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: GRWAIJBHBCCLGS-UHFFFAOYSA-N

• iso octane
IUPAC Name: 2,2,4-trimethylpentane | CAS Registry Number: 540-84-1
Synonyms: Isooctane, 2,2,4-Trimethylpentane, Isobutyltrimethylmethane, Pentane, 2,2,4-trimethyl-, 2,4,4-Trimethylpentane, TRIMETHYLPENTANE, ISO-OCTANE, HSDB 5682, 258776_ALDRICH, 32291_RIEDEL, 34499_RIEDEL, 360066_ALDRICH, 650439_ALDRICH, 59030_FLUKA, 59041_FLUKA, 59045_FLUKA, EINECS 208-759-1, NSC 39117, 34862_SIAL, 155012_SIAL

Molecular Formula: C8H18Molecular Weight: 114.228520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NHTMVDHEPJAVLT-UHFFFAOYSA-N

• Isobutyl chloride
IUPAC Name: 1-chloro-2-methylpropane | CAS Registry Number: 513-36-0
Synonyms: ISOBUTYL CHLORIDE, 1-Chloro-2-methylpropane, sJPHADIKUP@, Propane, 1-chloro-2-methyl-, 2-Chloro-2-methylpropane, 178004_ALDRICH, EINECS 208-157-9, InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H

Molecular Formula: C4H9ClMolecular Weight: 92.567260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N

• Isophthalonitrile
IUPAC Name: benzene-1,3-dicarbonitrile | CAS Registry Number: 626-17-5
Synonyms: Isophthalodinitrile, m-Dicyanobenzene, 3-Cyanobenzonitrile, m-Benzenedinitrile, 1,3-Benzenedicarbonitrile, Isoftalodinitril, Isophtalonitrile, m-Phthalodinitrile, 1,3-Benzodinitrile, 1,3-DICYANOBENZENE, Isoftalonitril [Czech], Isoftalodinitril [Czech], m-PDN, Ambap4363, WLN: NCR CCN, Nitril kyseliny isoftalove, Dinitrile of isophthalic acid, benzene-1,3-dicarbonitrile, CCRIS 4132, HSDB 5724

Molecular Formula: C8H4N2Molecular Weight: 128.130760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LAQPNDIUHRHNCV-UHFFFAOYSA-N

• Isopropyl chloride
IUPAC Name: 2-chloropropane | CAS Registry Number: 75-29-6
Synonyms: Narcosop, Isoprid, Propane, 2-chloro-, Isopropylchloride, 2-CHLOROPROPANE, 2-Propyl chloride, sec-Propyl chloride, Chlorodimethylmethane, 2-CHLORO-PROPANE, CCRIS 874, C68563_ALDRICH, HSDB 5204, 240613_ALDRICH, 02489_FLUKA, EINECS 200-858-8, UN2356, BRN 1730782, AI3-18025, LS-119656, 2-Chloropropane [UN2356] [Flammable liquid]

Molecular Formula: C3H7ClMolecular Weight: 78.540680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ULYZAYCEDJDHCC-UHFFFAOYSA-N

• Isotretinoin
IUPAC Name: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid | CAS Registry Number: 4759-48-2
Synonyms: Accutane, Roaccutane, Claravis, 13-cis-Retinoic acid, Teriosal, Isotrex, Sotret, Retinoic acid, Neovitamin A acid, isotretinoino, Amnesteem, Roaccutan, Roacutan, CIP-Isotretinoin, Accutane (TN), Prestwick_642, 13-cis-Vitamin A acid, Sotret (TN), Isotretinoin (USP), Retinoic acid, cis-

Molecular Formula: C20H28O2Molecular Weight: 300.435120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SHGAZHPCJJPHSC-XFYACQKRSA-N

• L-2-Octanol
IUPAC Name: (2R)-octan-2-ol | CAS Registry Number: 5978-70-1
Synonyms: l-Octan-2-ol, (R)-2-octanol, (2R)-2-octanol, (2R)-octan-2-ol, 2-Octanol, (theta)-, 2-Octanol, (2R)-, (R)-(-)-2-Octanol, 147990_ALDRICH, 74865_FLUKA, CHEBI:37871, EINECS 227-777-0, ZINC01653215, (R)-(−)-2-Octanol, 113301-47-6, 123-96-6, 4128-32-9, 51003-19-1

Molecular Formula: C8H18OMolecular Weight: 130.227920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SJWFXCIHNDVPSH-MRVPVSSYSA-N

• L-Alpha-Dipalmitoyl Phosphatidylcholine
IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate | CAS Registry Number: 63-89-8
Synonyms: Exosurf, Colfosceril palmitate, DPPC, diPalmitoylphosphatidylcholine, MLS000028586, AIDS001261, Colfosceril palmitate (USAN/INN), AIDS-001261, CID452110, LMGP01010564, 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE, SMR000058951, 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, D03585, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-(oxide), labeled with 18O, (R)- (Unspecified 18O labeled)

Molecular Formula: C40H80NO8PMolecular Weight: 734.038861 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: KILNVBDSWZSGLL-KXQOOQHDSA-N

• L-Carveol
IUPAC Name: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol | CAS Registry Number: 99-48-9
Synonyms: CARVEOL, trans-Carveol, cis-Carveol, L-cis-Carveol, p-Mentha-1,8-dien-6-ol, p-Mentha-6,8-dien-2-ol, (-)-cis-Carveol, cis-(-)-Carveol, (-)-Carveol, (1R)-cis-Carveol, Carveol, cis-(-)-, 6,8-p-Menthadien-2-ol, UPCMLD-DP073, FEMA No. 2247, CCRIS 6219, p-Mentha-1(6),8-dien-2-ol, W224707_ALDRICH, L-p-mentha-6-8-dien-2-ol, (1R,5R)-(-)-cis-Carveol, UPCMLD-DP073:001

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BAVONGHXFVOKBV-UHFFFAOYSA-N

• L-Ethyl Lactate
IUPAC Name: ethyl (2S)-2-hydroxypropanoate | CAS Registry Number: 687-47-8
Synonyms: ETHYL LACTATE, Ethyl 2-hydroxypropionate, L-Lactic acid ethyl ester, E34102_ALDRICH, W244007_ALDRICH, W244015_ALDRICH, Ethyl (S)-2-hydroxypropionate, 77367_FLUKA, (−)-Ethyl L-lactate, EINECS 211-694-1, ZINC00391793, (−)-Ethyl (S)-2-hydroxypropionate, (S)-(−)-2-Hydroxypropionic acid ethyl ester, 13171-69-2, 97-64-3

Molecular Formula: C5H10O3Molecular Weight: 118.131100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LZCLXQDLBQLTDK-BYPYZUCNSA-N

• L-Phenylalaninol
IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 3182-95-4
Synonyms: S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol, LS-121681

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N

• Levoglucosan
IUPAC Name: 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol | CAS Registry Number: 498-07-7
Synonyms: Leucoglucosan, Anhydro-d-mannosan, Levoglucosan (8CI), 1,6-Anhydro-beta-D-glucose, CCRIS 4273, 1,6-Anhydro-beta-glucopyranose, EINECS 207-855-0, .beta.-D-Glucopyranose, 1,6-anhydro-, NSC1376, beta-D-Glucopyranose, 1,6-anhydro-, NSC 46243, 1,6-Anhydro-beta-D-glucopyranose, CID79029, NSC46243, ZERO/000084, 1,6-Anhydro-.beta.-d-talopyranose, 1,6-Anhydro-.beta.-D-glucopyranose, NSC226600, AI3-61731, LS-167615

Molecular Formula: C6H10O5Molecular Weight: 162.140600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TWNIBLMWSKIRAT-UHFFFAOYSA-N

• Levosulpiride
IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide | CAS Registry Number: 23672-07-3
Synonyms: Levopraid, Levogastrol, Levopraid (TN), (-)-Sulpiride, Levosulpiride (INN), Tocris-0895, (S)-(-)-sulpiride, Sulpiride [L-(-)], Biomol-NT_000030, Lopac0_001089, MLS000759490, MLS001424014, S7771_SIGMA, 34002_RIEDEL, BPBio1_001221, (S)-(−)-Sulpiride, PDSP1_000516, PDSP1_000620, PDSP1_001649, PDSP2_000514

Molecular Formula: C15H23N3O4SMolecular Weight: 341.425820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BGRJTUBHPOOWDU-NSHDSACASA-N

• Lindane
IUPAC Name: 1,2,3,4,5,6-hexachlorocyclohexane | CAS Registry Number: 58-89-9
Synonyms: lindane, Kwell, beta-HCH, Aalindan, alpha-HCH, beta-Lindane, Hexachlorane, gamma-HCH, Jacutin, Benzene hexachloride, beta-BHC, alpha-Lindane, delta-HCH, gamma-BHC, Spritzlindane, Gamacarbatox, Lindagranox, Lindapoudre, Nicochloran, Agronexit

Molecular Formula: C6H6Cl6Molecular Weight: 290.829840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JLYXXMFPNIAWKQ-UHFFFAOYSA-N

• m-Bromofluorobenzene
IUPAC Name: 1-bromo-3-fluorobenzene | CAS Registry Number: 1073-06-9
Synonyms: m-Fluorobromobenzene, 3-Bromofluorobenzene, m-Fluorophenyl bromide, 3-Bromfluorbenzen, Benzene, 1-bromo-3-fluoro-, 1-Fluoro-3-bromobenzene, 1-BROMO-3-FLUOROBENZENE, 3-Bromfluorbenzen [Czech], Benzene, 1-fluoro-3-bromo-, WLN: FR CE, B67007_ALDRICH, EINECS 214-023-0, NSC 10267, NSC10267, LS-30353, TL806401, ST5406324, InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4

Molecular Formula: C6H4BrFMolecular Weight: 174.998363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QDFKKJYEIFBEFC-UHFFFAOYSA-N


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