Phenylpropanoids and polyketides
Thermo Scientific Chemicals Fisetin
CAS: 528-48-3 Formule moléculaire: C15H10O6 Poids moléculaire (g/mol): 286.24 Clé InChI: XHEFDIBZLJXQHF-UHFFFAOYSA-N Nom IUPAC: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one SMILES: OC1=CC=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
Rifabutin, 98%, Thermo Scientific Chemicals
CAS: 72559-06-9 Formule moléculaire: C46H62N4O11 Poids moléculaire (g/mol): 847.02 Numéro MDL: MFCD00866816 Clé InChI: ATEBXHFBFRCZMA-VXTBVIBXSA-N Synonyme: rifabutin,ansamycin,rifabutine,mycobutin,ansatipine,ansatipin,alfacid,rifabutina,rifabutinum,antibiotic lm 427 CID PubChem: 57448257 Nom IUPAC: (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate SMILES: CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C)C(O)=C4C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC5(CCN(CC(C)C)CC5)N=C1C4=C3C2=O
Chlortetracycline hydrochloride, specified according to the requirements of Ph.Eur.
CAS: 64-72-2 Formule moléculaire: C22H23ClN2O8·HCl Poids moléculaire (g/mol): 515.33 Numéro MDL: MFCD00082440 Clé InChI: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonyme: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride CID PubChem: 66577600 Nom IUPAC: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Thermo Scientific Chemicals Acacetin
CAS: 480-44-4 Formule moléculaire: C16H12O5 Poids moléculaire (g/mol): 284.27 Clé InChI: DANYIYRPLHHOCZ-UHFFFAOYSA-N Nom IUPAC: 5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one SMILES: COC1=CC=C(C=C1)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
3-Methoxycinnamic acid, predominantly trans, 98+%
CAS: 1533748 Numéro MDL: MFCD00004386
Dicumarol, 99%
CAS: 66-76-2 Formule moléculaire: C19H12O6 Poids moléculaire (g/mol): 336.30 Numéro MDL: MFCD00006857 Clé InChI: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonyme: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl CID PubChem: 54676038 ChEBI: CHEBI:4513 Nom IUPAC: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Thermo Scientific Chemicals 7-Hydroxy-4-methylcoumarin, 97%
CAS: 90-33-5 Formule moléculaire: C10H8O3 Poids moléculaire (g/mol): 176.17 Numéro MDL: MFCD00006866 Clé InChI: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonyme: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic CID PubChem: 5280567 ChEBI: CHEBI:17224 Nom IUPAC: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
4-Bromomethyl-6,7-dimethoxycoumarin, 95%
CAS: 88404-25-5 Formule moléculaire: C12H11BrO4 Poids moléculaire (g/mol): 299.12 Numéro MDL: MFCD00011570 Clé InChI: JGODLBJJCNQFII-UHFFFAOYSA-N Synonyme: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran CID PubChem: 128870 Nom IUPAC: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Scopoletin, 95%
CAS: 92-61-5 Formule moléculaire: C10H8O4 Poids moléculaire (g/mol): 192.17 Numéro MDL: MFCD00006872 Clé InChI: RODXRVNMMDRFIK-UHFFFAOYSA-N Synonyme: scopoletin,gelseminic acid,6-methylesculetin,7-hydroxy-6-methoxy-2h-chromen-2-one,chrysatropic acid,scopoletine,murrayetin,scopoletol,7-hydroxy-6-methoxycoumarin,6-o-methylesculetin CID PubChem: 5280460 ChEBI: CHEBI:17488 Nom IUPAC: 7-hydroxy-6-methoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C=CC(=O)O2)O
3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%
CAS: 20170-32-5 Numéro MDL: MFCD00017519 Synonyme: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid CID PubChem: 88389 Nom IUPAC: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
Chlortetracycline hydrochloride
CAS: 64-72-2 Formule moléculaire: C22H24Cl2N2O8 Poids moléculaire (g/mol): 515.34 Numéro MDL: MFCD00082440 Clé InChI: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonyme: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride CID PubChem: 66577600 Nom IUPAC: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Diosmin
CAS: 520-27-4 Formule moléculaire: C28H32O15 Poids moléculaire (g/mol): 608.549 Numéro MDL: MFCD00009772 Clé InChI: GZSOSUNBTXMUFQ-YFAPSIMESA-N Synonyme: diosmin,barosmin,diosmine,venosmine,diosmil,flebosten,daflon,diosimin,diosminum,tovene CID PubChem: 5281613 ChEBI: CHEBI:4631 Nom IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
7-Methoxycoumarin-4-acetic acid
CAS: 62935-72-2 Formule moléculaire: C12H10O5 Poids moléculaire (g/mol): 234.21 Numéro MDL: MFCD00009774 Clé InChI: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonyme: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh CID PubChem: 342221 ChEBI: CHEBI:51666 Nom IUPAC: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
4',5,7-Trihydroxyisoflavone, 99+%
CAS: 446-72-0 Formule moléculaire: C15H10O5 Poids moléculaire (g/mol): 270.24 Numéro MDL: MFCD00016952 Clé InChI: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonyme: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein CID PubChem: 5280961 ChEBI: CHEBI:28088 Nom IUPAC: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
1,3-Diphenyl-2-propyn-1-ol, tech. 90%
CAS: 1817-49-8 Formule moléculaire: C15H12O Poids moléculaire (g/mol): 208.26 Numéro MDL: MFCD06654198 Clé InChI: DZZWMODRWHHWFR-UHFFFAOYSA-N Synonyme: 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol CID PubChem: 296659 Nom IUPAC: 1,3-diphenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O