CAS: 149-57-5 Formule moléculaire: C8H16O2 Poids moléculaire (g/mol): 144.214 Numéro MDL: MFCD00002675 Clé InChI: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonyme: 2-ethylcaproic acid, hexanoic acid, 2-ethyl, ethylhexanoic acid, ethylhexoic acid, 2-ethylhexoic acid, butylethylacetic acid, 2-butylbutanoic acid, 3-heptanecarboxylic acid, ethyl hexanoic acid, 2-ethyl-hexoic acid CID PubChem: 8697 Nom IUPAC: Acide2-éthylhexanoïque SMILES: CCCCC(CC)C(=O)O

CAS: 719-22-2 Formule moléculaire: C₁₄H₂₀O₂ Poids moléculaire (g/mol): 220.31 Clé InChI: RDQSIADLBQFVMY-UHFFFAOYSA-N Synonyme: 2,6-di-tert-butyl-p-benzoquinone, 2,6-di-tert-butyl-1,4-benzoquinone, 2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione, 2,6-di-tert-butylbenzoquinone, 2,6-di-tert-butylquinone, 2,6-di-t-butyl-p-benzoquinone, 2,5-cyclohexadiene-1,4-dione, 2,6-bis 1,1-dimethylethyl, p-benzoquinone, 2,6-di-tert-butyl, unii-4c9d8l0y0t, 2,6-di tert-butyl benzo-1,4-quinone CID PubChem: 12867 Nom IUPAC: 2,6-ditert-butylcyclohexa-2,5-diène-1,4-dione SMILES: CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C

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

CAS: 125-20-2 Formule moléculaire: C28H30O4 Poids moléculaire (g/mol): 430.544 Numéro MDL: MFCD00005909 Clé InChI: LDKDGDIWEUUXSH-UHFFFAOYSA-N Synonyme: thymolphthalein, thymophthalein, unii-yg5i28wsqp, yg5i28wsqp, phenolphthalein, 5',5-diisopropyl-2',2-dimethyl, 3,3-bis 4-hydroxy-5-isopropyl-2-methylphenyl-2-benzofuran-1 3h-one, 1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-2-methyl-5-1-methylethyl phenyl, 5',5-diisopropyl-2',2-dimethylphenolphthalein, 3,3-bis 4-hydroxy-2-methyl-5-propan-2-ylphenyl-2-benzofuran-1-one CID PubChem: 31316 Nom IUPAC: 3,3-bis(4-hydroxy-2-méthyl-5-propan-2-ylphényl)-2-benzofuran-1-un 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: 17013-01-3 Formule moléculaire: C₄H₂Na₂O₄ Poids moléculaire (g/mol): 160.04 Numéro MDL: MFCD00064567 Clé InChI: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonyme: disodium fumarate, sodium fumarate, sodium fumarate dibasic, fumaric acid, disodium salt, fumaric acid disodium salt, fumaran sodny czech, fumaran sodny, disodium butenedioate, di-sodium fumarate, sodium monofumarate CID PubChem: 87110070 Nom IUPAC: acide (E)-but-2-ènedioïque ; sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

CAS: 149-57-5 Formule moléculaire: C₈H₁₆O₂ Poids moléculaire (g/mol): 144.21 Numéro MDL: MFCD00002675 Clé InChI: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonyme: 2-ethylcaproic acid, hexanoic acid, 2-ethyl, ethylhexanoic acid, ethylhexoic acid, 2-ethylhexoic acid, butylethylacetic acid, 2-butylbutanoic acid, 3-heptanecarboxylic acid, ethyl hexanoic acid, 2-ethyl-hexoic acid CID PubChem: 8697 Nom IUPAC: Acide2-éthylhexanoïque SMILES: CCCCC(CC)C(=O)O

CAS: 60-01-5 Formule moléculaire: C₁₅H₂₆O₆ Poids moléculaire (g/mol): 302.36 Numéro MDL: MFCD00009392 Clé InChI: UYXTWWCETRIEDR-UHFFFAOYSA-N Synonyme: tributyrin, glyceryl tributyrate, glycerol tributyrate, tributin, butyrin, butyryl triglyceride, propane-1,2,3-triyl tributyrate, glycerol tributanoate, glyceroltributyrin, tri-n-butyrin CID PubChem: 6050 ChEBI: CHEBI:35020 Nom IUPAC: Butanoate de2,3-di(butanoyloxy)propyle SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

CAS: 104-76-7 Formule moléculaire: C₈H₁₈O Poids moléculaire (g/mol): 130.23 Numéro MDL: MFCD00004746 Clé InChI: YIWUKEYIRIRTPP-UHFFFAOYSA-N Synonyme: 2-ethylhexanol, 2-ethyl-1-hexanol, 1-hexanol, 2-ethyl, 2-ethylhexyl alcohol, ethylhexanol, alcohol, 2-ethylhexyl, xi-2-ethyl-1-hexanol, 2-aethylhexanol german, ethylhexanol, 2, fema no. 3151 CID PubChem: 7720 ChEBI: CHEBI:16011 Nom IUPAC: 2-éthylhexan-1-ol SMILES: CCCCC(CC)CO

CAS: 102-76-1 Formule moléculaire: C₉H₁₄O₆ Poids moléculaire (g/mol): 218.21 Clé InChI: URAYPUMNDPQOKB-UHFFFAOYSA-N Synonyme: triacetin, glyceryl triacetate, glycerol triacetate, glycerin triacetate, enzactin, triacetine, triacetylglycerol, fungacetin, glyped, triacetyl glycerine CID PubChem: 5541 ChEBI: CHEBI:9661 Nom IUPAC: acétate de 2,3-diacétyloxypropyle SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C

CAS: 50-23-7 Formule moléculaire: C₂₁H₃₀O₅ Poids moléculaire (g/mol): 362.47 Numéro MDL: MFCD00011654 Clé InChI: JYGXADMDTFJGBT-VWUMJDOOSA-N Synonyme: hydrocortisone, cortisol, acticort, cetacort, cortef, 17-hydroxycorticosterone, hydrocortisyl, hydrasson, cobadex, cortril CID PubChem: 5754 ChEBI: CHEBI:17650 Nom IUPAC: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacétyl)-10,13-diméthyl-2,6,7,8,9,11,12,14,15,16-décahydro-1H-cyclopenta[a]phénanthrèn-3-one SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

CAS: 48068-25-3 Formule moléculaire: C10H19NO5 Poids moléculaire (g/mol): 233.264 Numéro MDL: MFCD00076990 Clé InChI: VWSUOKFUIPMDDX-RQJHMYQMSA-N Synonyme: boc-o-methyl-l-threonine, boc-thr me-oh, 2s,3r-2-tert-butoxycarbonylamino-3-methoxybutanoic acid, 2s,3r-2-tert-butoxycarbonyl amino-3-methoxybutanoic acid, n-boc-o-methyl-l-threonine, o-methyl-l-threonine, n-boc protected, n-tert-butoxycarbonyl-o-methyl-l-threonine, n-tert-butyloxycarbonyl-o-methyl-l-threonine, 2s,3r-2-tert-butoxy carbonyl amino-3-methoxybutanoic acid CID PubChem: 15460346 Nom IUPAC: Acide (2S,3R)-3-méthoxy-2 -[(2-méthylpropan-2-yl)oxycarbonylamino]butanoïque SMILES: CC(C(C(=O)O)NC(=O)OC(C)(C)C)OC

CAS: 111-87-5 Formule moléculaire: C8H18O Poids moléculaire (g/mol): 130.23 Numéro MDL: MFCD00002988 Clé InChI: KBPLFHHGFOOTCA-UHFFFAOYSA-N Synonyme: 1-octanol, octanol, octyl alcohol, n-octanol, capryl alcohol, caprylic alcohol, n-octyl alcohol, heptyl carbinol, 1-hydroxyoctane, primary octyl alcohol CID PubChem: 957 ChEBI: CHEBI:16188 Nom IUPAC: octan-1-ol SMILES: CCCCCCCCO

CAS: 1866-16-6 Formule moléculaire: C9H20INOS Poids moléculaire (g/mol): 317.229 Numéro MDL: MFCD00011845 Clé InChI: WEQAAFZDJROSBF-UHFFFAOYSA-M Synonyme: butyrylthiocholine iodide, s-butyrylthiocholine iodide, 2-butyrylthio-n,n,n-trimethylethanaminium iodide, s-n-butyrylthiocholine iodide, 2-mercaptoethyl trimethylammonium iodide butyrate, ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide, propylcarbonylthioethyl trimethylammonium iodide, 1-2-trimethylamino ethylthio butan-1-one, iodide, ethanaminium, n,n,n-trimethyl-2-1-oxobutyl thio-, iodide 1:1 CID PubChem: 74630 Nom IUPAC: 2-butanoylsulfanthyl(triméthyl)azanium ; iodure SMILES: CCCC(=O)SCC[N+](C)(C)C.[I-]

CAS: 17407-55-5 Formule moléculaire: C5H9O3 Poids moléculaire (g/mol): 117.13 Numéro MDL: MFCD00066443 Clé InChI: NGEWQZIDQIYUNV-BYPYZUCNSA-M Synonyme: s-+-2-hydroxy-3-methylbutyric acid, s-2-hydroxy-3-methylbutanoic acid, l-alpha-hydroxyisovaleric acid, s-2-hydroxy-3-methylbutyric acid, 2s-2-hydroxy-3-methylbutanoic acid, unii-rub6h7st9k, s-2-hydroxyisovaleric acid, s-+-2-hydroxy-3-methylbutanoic acid, butanoic acid, 2-hydroxy-3-methyl-, 2s, rub6h7st9k CID PubChem: 853180 ChEBI: CHEBI:60631 Nom IUPAC: Acide(2S)-2-hydroxy-3-méthylbutanoïque SMILES: CC(C)[C@H](O)C([O-])=O

CAS: 928-96-1 Formule moléculaire: C6H12O Poids moléculaire (g/mol): 100.16 Numéro MDL: MFCD00063217 Clé InChI: UFLHIIWVXFIJGU-ARJAWSKDSA-N Synonyme: z-hex-3-en-1-ol, cis-3-hexen-1-ol, cis-3-hexenol, leaf alcohol, blatteralkohol, z-3-hexenol, z-3-hexen-1-ol, 3-hexenol, 3z-hex-3-en-1-ol, 3-hexen-1-ol, z CID PubChem: 5281167 ChEBI: CHEBI:28857 Nom IUPAC: (3Z)-hex-3-en-1-ol SMILES: CC\C=C/CCO

CAS: 601-57-0 Formule moléculaire: C27H44O Poids moléculaire (g/mol): 384.648 Numéro MDL: MFCD00003663 Clé InChI: NYOXRYYXRWJDKP-GYKMGIIDSA-N Synonyme: 4-cholesten-3-one, cholest-4-en-3-one, cholestenone, 3-oxocholest-4-ene, delta sup 4-cholestenone, +-4-cholesten-3-one, unii-7t94nhd99c, 3-oxo-4-cholestene, 3-keto-4-cholestene, cholestenone delta 4 CID PubChem: 91477 ChEBI: CHEBI:16175 Nom IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-diméthyl-17-[(2R)-6-méthylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodécahydrocyclopenta[a]phénanthrèn-3-one SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

CAS: 123-99-9 Formule moléculaire: C9H16O4 Poids moléculaire (g/mol): 188.223 Numéro MDL: MFCD00004432 Clé InChI: BDJRBEYXGGNYIS-UHFFFAOYSA-N Synonyme: azelaic acid, finacea, anchoic acid, azelex, lepargylic acid, skinoren, 1,7-heptanedicarboxylic acid, heptanedicarboxylic acid, 1,9-nonanedioic acid, emerox 1110 CID PubChem: 2266 ChEBI: CHEBI:48131 Nom IUPAC: Acide non anedioïque SMILES: C(CCCC(=O)O)CCCC(=O)O

CAS: 764-33-0 Formule moléculaire: C6H8O2 Poids moléculaire (g/mol): 112.128 Numéro MDL: MFCD00014371 Clé InChI: AKYAUBWOTZJUBI-UHFFFAOYSA-N Synonyme: 2-hexynoic acid, hexynoic acid, acmc-1bezk, akyaubwotzjubi-uhfffaoysa CID PubChem: 324380 Nom IUPAC: Acide2hexynoïque SMILES: CCCC#CC(=O)O

CAS: 591-80-0 Formule moléculaire: C5H8O2 Poids moléculaire (g/mol): 100.12 Numéro MDL: MFCD00004408 Clé InChI: HVAMZGADVCBITI-UHFFFAOYSA-N Synonyme: 4-pentenoic acid, allylacetic acid, allyl acetic acid, 4 pa, 3-vinylpropionic acid, delta 4-pentenoic acid, unii-d4s77y29fb, fema no. 2843, .delta.4-pentenoic acid, wln: qv3u1 CID PubChem: 61138 ChEBI: CHEBI:35936 Nom IUPAC: Acide pent-4-énoïque SMILES: OC(=O)CCC=C

CAS: 2216-51-5 Formule moléculaire: C₁₀H₂₀O Poids moléculaire (g/mol): 156.27 Numéro MDL: MFCD00062979 Clé InChI: NOOLISFMXDJSKH-KXUCPTDWSA-N Synonyme: l-menthol, --menthol, levomenthol, menthomenthol, l---menthol, hexahydrothymol, menthacamphor, peppermint camphor, 1r,2s,5r-2-isopropyl-5-methylcyclohexanol, u.s.p. menthol CID PubChem: 16666 ChEBI: CHEBI:15409 Nom IUPAC: (1R,2S,5R)-5-méthyl-2-propan-2-ylcyclohexan-1-ol SMILES: CC1CCC(C(C1)O)C(C)C

CAS: 110-44-1 Formule moléculaire: C6H8O2 Poids moléculaire (g/mol): 112.13 Numéro MDL: MFCD00002703 Clé InChI: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonyme: sorbic acid, 2,4-hexadienoic acid, 2e,4e-hexa-2,4-dienoic acid, 2e,4e-hexadienoic acid, panosorb, 2-propenylacrylic acid, trans,trans-sorbic acid, sorbistat, hexadienoic acid, e,e-2,4-hexadienoic acid CID PubChem: 643460 ChEBI: CHEBI:38358 Nom IUPAC: acide (2E,4E)-hexa-2,4-diénoïque SMILES: C\C=C\C=C\C(O)=O

CAS: 50-14-6 Formule moléculaire: C28H44O Poids moléculaire (g/mol): 396.66 Numéro MDL: MFCD00166988,MFCD11656674 Clé InChI: MECHNRXZTMCUDQ-VLOQVYPSSA-N Synonyme: ergocalciferol, vitamin d2, calciferol, viosterol, oleovitamin d2, ercalciol, ergorone, detalup, condocaps, crystallina CID PubChem: 134129658 Nom IUPAC: (1S)-3-[2-[(1S,7aR)-1-[(2R,5R)-5,6-diméthylhept-3-en-2-yl]-7a-méthyle-2,3,3a,5,6,7-hexahydro-1H-indène-4-ylidène]éthylidène]-4-éthylidènecyclohexane-1-ol SMILES: CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)CCC1=C

CAS: 34850-66-3 Formule moléculaire: C₁₀H₁₅NaO₄S Poids moléculaire (g/mol): 254.28 Numéro MDL: MFCD00135623 Clé InChI: AWMAOFAHBPCBHJ-UHFFFAOYSA-M Synonyme: sodium camphorsulfonate, sodium 7,7-dimethyl-2-oxobicyclo 2.2.1 heptan-1-yl methanesulfonate, sodium +/--10-camphorsulfonate, d-camphor-10-sulfonic acid sodium salt, sodium camphorsulfonate anion, bicyclo 2.2.1 heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, sodium salt, +--sodium camphorsulfonate, sodium 2-oxobornane-10-sulphonate, sodium di-10-camphorsulfonate CID PubChem: 23686666 Nom IUPAC: Sodium ;(7,7-diméthyl-3-oxo-4-bicyclo[2.2.1] heptanyl)méthanesulfonate SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+]

CAS: 2051-31-2 Formule moléculaire: C10H22O Poids moléculaire (g/mol): 158.285 Numéro MDL: MFCD00039627 Clé InChI: DTDMYWXTWWFLGJ-UHFFFAOYSA-N Synonyme: 4-decanol, decanol-4, 4-decanol, s, 4-decyl alcohol, hexylpropylcarbinol, 1-propylheptyl alcohol, acmc-20moz4, acmc-1cf04 CID PubChem: 16320 Nom IUPAC: Décan4-ol SMILES: CCCCCCC(CCC)O

CAS: 11018-89-6 Formule moléculaire: C₂₉H₄₄O₁₂·₈H₂O Poids moléculaire (g/mol): 728.78 Numéro MDL: MFCD00149240 Clé InChI: TYBARJRCFHUHSN-DMJRSANLSA-N Synonyme: ouabain octahydrate, strophantine octahydrate, quabain octahydrate, ouabain usp, penta a phenanthren-17-yl-2h-furan-5-one;octahydrate, gamma-strophanthin, 3-1r,3s,5s,8r,9s,10r,11r,13r,14s,17r-1,5,11,14-tetrahydroxy-10-hydroxymethyl-13-methyl-3-2r,3r,4r,5r,6s-3,4,5-trihydroxy-6-methyloxan-2-yl oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclo, prestwick_370, acocantherine;g-strophanthin CID PubChem: 6364534 Nom IUPAC: 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tétrahydroxy-10-(hydroxyméthyl)-13-méthyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-méthyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodécahydro-1H-cyclopenta[a]phenanthrèn-17-yl]-2H-furan-5-one ; octahydrate SMILES: CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O.O.O.O.O.O.O.O.O

CAS: 928-91-6 Formule moléculaire: C6H12O Poids moléculaire (g/mol): 100.16 Numéro MDL: MFCD00148974,MFCD00009713 Clé InChI: VTIODUHBZHNXFP-IHWYPQMZSA-N Synonyme: cis-4-hexen-1-ol, z-hex-4-en-1-ol, z-4-hexen-1-ol, 4z-hex-4-en-1-ol, 4-hexen-1-ol, z, unii-780wma6j84, e-4-hexenol, cis-1-hydroxy-4-hexene, cis-4-hexene-1-ol, 4z-4-hexen-1-ol # CID PubChem: 5365589 Nom IUPAC: (4Z)-hex-4-en-1-ol SMILES: C\C=C/CCCO

CAS: 112-79-8 Formule moléculaire: C₁₈H₃₄O₂ Poids moléculaire (g/mol): 282.46 Clé InChI: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonyme: elaidic acid, trans-oleic acid, trans-9-octadecenoic acid, 9-octadecenoic acid, e-oleic acid, 9-octadecenoic acid, e, e-octadec-9-enoic acid, trans-elaidic acid, 9-octadecenoic acid, 9e, elaidinsaure CID PubChem: 637517 ChEBI: CHEBI:27997 Nom IUPAC: Acide (E)-octadéc-9-énoïque SMILES: CCCCCCCCC=CCCCCCCCC(=O)O