CAS: 149-57-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethyl-hexoic acid, ethyl hexanoic acid, 3-heptanecarboxylic acid, 2-butylbutanoic acid, butylethylacetic acid, 2-ethylhexoic acid, ethylhexoic acid, ethylhexanoic acid, hexanoic acid, 2-ethyl, 2-ethylcaproic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

CAS: 93962-84-6 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD22380704 InChI Key: PMPNHSZLJPXGCD-UHFFFAOYSA-N Synonym: tricyclo 5.2.1.0 2 ,? decan-3-ylmethyl prop-2-enoate, acmc-20mslm, octahydro-4,7-methano-1h-indenyl methyl acrylate PubChem CID: 22051805 SMILES: C=CC(=O)OCC1CCC2C1C3CCC2C3

CAS: 719-22-2 Molecular Formula: C₁₄H₂₀O₂ Molecular Weight (g/mol): 220.31 InChI Key: RDQSIADLBQFVMY-UHFFFAOYSA-N Synonym: 2,6-di tert-butyl benzo-1,4-quinone, unii-4c9d8l0y0t, p-benzoquinone, 2,6-di-tert-butyl, 2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl, 2,6-di-t-butyl-p-benzoquinone, 2,6-di-tert-butylquinone, 2,6-di-tert-butylbenzoquinone, 2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,6-di-tert-butyl-1,4-benzoquinone, 2,6-di-tert-butyl-p-benzoquinone PubChem CID: 12867 IUPAC Name: 2,6-ditert-butylcyclohexa-2,5-diene-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C

CAS: 17013-01-3 Molecular Formula: C₄H₂Na₂O₄ Molecular Weight (g/mol): 160.04 MDL Number: MFCD00064567 InChI Key: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonym: sodium monofumarate, di-sodium fumarate, disodium butenedioate, fumaran sodny, fumaran sodny czech, fumaric acid disodium salt, fumaric acid, disodium salt, sodium fumarate dibasic, sodium fumarate, disodium fumarate PubChem CID: 87110070 IUPAC Name: (E)-but-2-enedioic acid;sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: 3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one, 5',5-diisopropyl-2',2-dimethylphenolphthalein, 1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl, 3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one, phenolphthalein, 5',5-diisopropyl-2',2-dimethyl, yg5i28wsqp, unii-yg5i28wsqp, thymophthalein, thymolphthalein PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

CAS: 104-76-7 MDL Number: MFCD00004746 InChI Key: YIWUKEYIRIRTPP-UHFFFAOYSA-N Synonym: fema no. 3151, ethylhexanol, 2, 2-aethylhexanol german, xi-2-ethyl-1-hexanol, alcohol, 2-ethylhexyl, ethylhexanol, 2-ethylhexyl alcohol, 1-hexanol, 2-ethyl, 2-ethyl-1-hexanol, 2-ethylhexanol PubChem CID: 7720 ChEBI: CHEBI:16011 IUPAC Name: 2-ethylhexan-1-ol SMILES: CCCCC(CC)CO

CAS: 102-76-1 Molecular Formula: C₉H₁₄O₆ Molecular Weight (g/mol): 218.21 InChI Key: URAYPUMNDPQOKB-UHFFFAOYSA-N Synonym: triacetyl glycerine, glyped, fungacetin, triacetylglycerol, triacetine, enzactin, glycerin triacetate, glycerol triacetate, glyceryl triacetate, triacetin PubChem CID: 5541 ChEBI: CHEBI:9661 IUPAC Name: 2,3-diacetyloxypropyl acetate SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C

CAS: 50-23-7 Molecular Formula: C₂₁H₃₀O₅ Molecular Weight (g/mol): 362.47 MDL Number: MFCD00011654 InChI Key: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonym: cortril, cobadex, hydrasson, hydrocortisyl, 17-hydroxycorticosterone, cortef, cetacort, acticort, cortisol, hydrocortisone PubChem CID: 5754 ChEBI: CHEBI:17650 IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

CAS: 60-01-5 Molecular Formula: C₁₅H₂₆O₆ Molecular Weight (g/mol): 302.36 MDL Number: MFCD00009392 InChI Key: UYXTWWCETRIEDR-UHFFFAOYSA-N Synonym: tri-n-butyrin, glyceroltributyrin, glycerol tributanoate, propane-1,2,3-triyl tributyrate, butyryl triglyceride, butyrin, tributin, glycerol tributyrate, glyceryl tributyrate, tributyrin PubChem CID: 6050 ChEBI: CHEBI:35020 IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

CAS: 149-57-5 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethyl-hexoic acid, ethyl hexanoic acid, 3-heptanecarboxylic acid, 2-butylbutanoic acid, butylethylacetic acid, 2-ethylhexoic acid, ethylhexoic acid, ethylhexanoic acid, hexanoic acid, 2-ethyl, 2-ethylcaproic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

CAS: 122-32-7 Molecular Formula: C57H104O6 Molecular Weight (g/mol): 885.453 MDL Number: MFCD00137563 InChI Key: PHYFQTYBJUILEZ-BSCDBXJPSA-N Synonym: glycerin trioleate, olein, trioleoylglyceride, oleic acid triglyceride, glycerol triolein, trioleoylglycerol, oleic triglyceride, glyceryl trioleate, glycerol trioleate, triolein PubChem CID: 45253964 IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

CAS: 2212-75-1 Molecular Formula: C14H20N2O4 Molecular Weight (g/mol): 280.32 MDL Number: MFCD00038204 InChI Key: OJTJKAUNOLVMDX-LBPRGKRZSA-N Synonym: lysine, n2-phenylmethoxy carbonyl, n-alpha-benzyloxycarbonyl-l-lysine, cbz-l-lysine, z-lysine, s-6-amino-2-benzyloxy carbonyl amino hexanoic acid, n-alpha-carbobenzoxy-l-lysine, cbz-lys-oh, n-alpha-cbz-l-lysine, nalpha-cbz-l-lysine, z-lys-oh PubChem CID: 75172 IUPAC Name: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid SMILES: NCCCC[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O

CAS: 125-20-2 Molecular Formula: C28H30O4 Molecular Weight (g/mol): 430.544 MDL Number: MFCD00005909 InChI Key: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonym: TP PubChem CID: 31316 IUPAC Name: 3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one SMILES: CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

CAS: 98-55-5 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00001557 InChI Key: WUOACPNHFRMFPN-UHFFFAOYSA-N Synonym: terpenol, carvomenthenol, terpineol schlechthin, 1-menthene-8-ol, 1-p-menthen-8-ol, dl-alpha-terpineol, 2-4-methylcyclohex-3-en-1-yl propan-2-ol, p-menth-1-en-8-ol, terpineol, alpha-terpineol PubChem CID: 17100 ChEBI: CHEBI:22469 IUPAC Name: 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol SMILES: CC1=CCC(CC1)C(C)(C)O

CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofenum, flurbiprofeno, flurbiprofene, anside, flurofen, cebutid, antadys, froben, ansaid, flurbiprofen PubChem CID: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1

CAS: 3302-10-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00020507 InChI Key: OILUAKBAMVLXGF-UHFFFAOYNA-N Synonym: 3,5,5 trimethylhexanoic acid, dsstox_gsid_29254, dsstox_rid_78735, 3,5-trimethylhexanoic acid, dsstox_cid_9254, acmc-1assi, unii-aw943q219o, 3,5,5-trimethylhexanoicacid, 3,5,5-trimethyl-hexanoic acid, hexanoic acid, 3,5,5-trimethyl PubChem CID: 90960 IUPAC Name: 3,5,5-trimethylhexanoic acid SMILES: CC(CC(=O)O)CC(C)(C)C

CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: 1-heptadecanecarboxylic acid, vanicol, stearinsaeure, octadecansaeure, stearex beads, pearl stearic, cetylacetic acid, n-octadecanoic acid, stearophanic acid, stearic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O

CAS: 10458-14-7 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00062998 InChI Key: NFLGAXVYCFJBMK-UHFFFAOYSA-N Synonym: 5-methyl-2-isopropyl cyclohexanone, p-menthan-3-one, dl, 2-isopropyl-5-methyl-cyclohexanone, p-menthanone, 5-methyl-2-1-methylethyl cyclohexanone, cyclohexanone, 5-methyl-2-1-methylethyl, menthone, 2-isopropyl-5-methylcyclohexanone, p-menthan-3-one, isomenthone PubChem CID: 6986 ChEBI: CHEBI:36742 IUPAC Name: 5-methyl-2-propan-2-ylcyclohexan-1-one SMILES: CC1CCC(C(=O)C1)C(C)C

CAS: 2051-18-5 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.664 MDL Number: MFCD00018885 InChI Key: CYAKWEQUWJAHLW-UHFFFAOYSA-N Synonym: benzene, 1-chloromethyl-4-methylethyl, p-isopropyl benzyl chloride, 1-chloromethyl-4-propan-2-yl benzene, benzene, 1-chloromethyl-4-1-methylethyl, 4-isopropylbenzylchloride, 7-chloro-p-cymene, p-isopropylbenzyl chloride, p-cymene, 7-chloro, 1-chloromethyl-4-isopropylbenzene, 4-isopropylbenzyl chloride PubChem CID: 74916 IUPAC Name: 1-(chloromethyl)-4-propan-2-ylbenzene SMILES: CC(C)C1=CC=C(C=C1)CCl

CAS: 58917-26-3 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD03093080 InChI Key: OHEFFKYYKJVVOX-QMMMGPOBSA-N Synonym: s-6-methyl-hept-5-en-2-ol, +-sulcatol, 5-hepten-2-ol, 6-methyl-, 2s, 6-methyl-5-hepten-2s-ol, s-+-6-methyl-5-hepten-2-ol, 2s-6-methyl-5-hepten-2-ol, 2s-6-methylhept-5-en-2-ol, s-6-methylhept-5-en-2-ol, s-sulcatol PubChem CID: 6971127 IUPAC Name: (2S)-6-methylhept-5-en-2-ol SMILES: CC(CCC=C(C)C)O

CAS: 106-69-4 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00002976 InChI Key: ZWVMLYRJXORSEP-UHFFFAOYNA-N Synonym: dsstox_cid_21224, acmc-1bsub, 1,6-trihydroxyhexane, hexane-1,6-triol, hexanetriol-1,6, 1,6-hexanetriol, hexanetriol-1,2,6, 1,2,6-trihydroxyhexane, 1,2,6-hexanetriol PubChem CID: 7823 IUPAC Name: hexane-1,2,6-triol SMILES: OCCCCC(O)CO

CAS: 5872-08-2 Molecular Formula: C10H16O4S Molecular Weight (g/mol): 232.29 MDL Number: MFCD00074827 InChI Key: MIOPJNTWMNEORI-UHFFFAOYNA-N Synonym: +-10-camphorsulfonic acid, l-camphor-10-sulfonic acid, 7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonic acid, d-10-camphorsulfonic acid, 2-oxobornane-10-sulphonic acid, --10-camphorsulfonic acid, camphersulfosaeure, d-camphorsulfonic acid, camphorsulfonic acid, reychler's acid PubChem CID: 18462 ChEBI: CHEBI:55379 IUPAC Name: (7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonic acid SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C

CAS: 629-11-8 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00002985 InChI Key: XXMIOPMDWAUFGU-UHFFFAOYSA-N Synonym: 1,6-hexylene glycol, 6-hydroxy-1-hexanol, ccris 8982, unii-zia319275i, .alpha.,.omega.-hexanediol, alpha,omega-hexanediol, hexamethylenediol, 1,6-dihydroxyhexane, hexamethylene glycol, 1,6-hexanediol PubChem CID: 12374 ChEBI: CHEBI:43078 IUPAC Name: hexane-1,6-diol SMILES: C(CCCO)CCO

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: atra, vesanoid, retin-a, airol, renova, trans-retinoic acid, all-trans-retinoic acid, vitamin a acid, tretinoin, retinoic acid PubChem CID: 444795 ChEBI: CHEBI:15367 SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

CAS: 1830-54-2 Molecular Formula: C7H10O5 Molecular Weight (g/mol): 174.15 MDL Number: MFCD00008462 InChI Key: RNJOKCPFLQMDEC-UHFFFAOYSA-N Synonym: dimethyl 3-oxopentane-1,5-dioate, pentanedioic acid, 3-oxo-, 1,5-dimethyl ester, glutaric acid, 3-oxo-, dimethyl ester, acetone dicarboxylic acid, dimethyl ester, dimethyl acetonedicarboxylate, pentanedioic acid, 3-oxo-, dimethyl ester, 1,5-dimethyl 3-oxopentanedioate, dimethyl 3-oxoglutarate, dimethyl acetone-1,3-dicarboxylate, dimethyl 1,3-acetonedicarboxylate PubChem CID: 74591 SMILES: COC(=O)CC(=O)CC(=O)OC

CAS: 112-62-9 Molecular Formula: C19H36O2 Molecular Weight (g/mol): 296.495 MDL Number: MFCD00009578 InChI Key: QYDYPVFESGNLHU-KHPPLWFESA-N Synonym: esterol 112, emery, oleic acid ester, exceparl m-ol, methyl-cis-oleate, methyl z-9-octadecenoate, edenor metio5, oleic acid, methyl ester, methyl cis-9-octadecenoate, oleic acid methyl ester, methyl oleate PubChem CID: 5364509 ChEBI: CHEBI:27542 IUPAC Name: methyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC

CAS: 142-45-0 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00004362 InChI Key: YTIVTFGABIZHHX-UHFFFAOYSA-N Synonym: pubchem13735, acetylenedicarboxylicacid, hoocc=ccooh, acetylendicarboxylate, acetylenedicarboxylic acid 8ci, unii-2d2oj4ko44, acetylenedicarboxylate, butynedioic acid, 2-butynedioic acid, acetylenedicarboxylic acid PubChem CID: 371 ChEBI: CHEBI:30781 IUPAC Name: but-2-ynedioic acid SMILES: OC(=O)C#CC(O)=O

CAS: 112-79-8 Molecular Formula: C₁₈H₃₄O₂ Molecular Weight (g/mol): 282.46 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: elaidinsaure, 9-octadecenoic acid, 9e, trans-elaidic acid, e-octadec-9-enoic acid, 9-octadecenoic acid, e, e-oleic acid, 9-octadecenoic acid, trans-9-octadecenoic acid, trans-oleic acid, elaidic acid PubChem CID: 637517 ChEBI: CHEBI:27997 IUPAC Name: (E)-octadec-9-enoic acid SMILES: CCCCCCCCC=CCCCCCCCC(=O)O

CAS: 83-43-2 Molecular Formula: C22H30O5 Molecular Weight (g/mol): 374.48 MDL Number: MFCD00010591 InChI Key: VHRSUDSXCMQTMA-PJHHCJLFSA-N Synonym: dopomedrol, metilprednisolone, medrate, metilbetasone, 6alpha-methylprednisolone, methylprednisolon, urbason, medrone, medrol, methylprednisolone PubChem CID: 6741 ChEBI: CHEBI:6888 IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12