Metabolites
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CarmofurCas#: 61422-45-5 Compound CID: 2577Formula: C11H16FN3O3 Molecular Weight: 257.27IUPAC Name: 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamideSMILES: CCCCCCNC(=O)N1C=C(C(=O)NC1=O)FInChIKey: AOCCBINRVIKJHY-UHFFFAOYSA-NInChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)Synonyms: AB00698319_06 | C75879 | HA82M3RAB2 | Spectrum2_000026 | BS-17210 | 1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4...
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Prostaglandin E1, Prostanoid EP2 receptor agonistCas#: 745-65-3 Compound CID: 5280723Formula: C20H34O5 Molecular Weight: 354.48IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acidSMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)OInChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-NInChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1Synonyms: (-)-Prostaglandin E1 | Prostaglandin E1alpha | AI3-62116 | Prostandin | Prostivas | U 10136 | ALPROSTADIL [VANDF] | H...
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5-Hydroxytryptamine, Agonist of 5-HT 1A receptor;Agonist of 5-HT 1B receptor;Agonist of 5-HT 1D receptor;Agonist of 5-ht 1e receptor;Agonist of 5-HT 1F receptor;Agonist of 5-HT 2A receptor;Agonist of 5-HT 2B receptor;Agonist of 5-HT 2C receptor;Agonist of 5-HT 3A;Agonist of 5Cas#: 50-67-9 Compound CID: 5202Formula: C10H12N2O Molecular Weight: 176.22IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-olSMILES: C1=CC2=C(C=C1O)C(=CN2)CCNInChIKey: QZAYGJVTTNCVMB-UHFFFAOYSA-NInChI: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2Synonyms: 5-HT | 3-(b-Aminoethyl)-5-hydroxyindole | 5 Hydroxytryptamine | Serotonine | 3-(.beta.-Aminoethyl)-5-hydroxyindole | ...
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17α-Hydroxy ProgesteroneCas#: 68-96-2 Compound CID: 6238Formula: C21H30O3 Molecular Weight: 330.47IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-oneSMILES: CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OInChIKey: DBPWSSGDRRHUNT-CEGNMAFCSA-NInChI: InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1Synonyms: 17alpha-Hydroxyprogesterone, >=95% | A-Hydroxyprogesterone | LP00565 | NCGC00093949-08 | 17-Hydroxypregn-4-ene-3,20-d...
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Lasofoxifene TartrateCas#: 190791-29-8 Compound CID: 3081919Formula: C28H31NO2•C4H6O6 Molecular Weight: 563.65IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid;(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-olSMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3C(CCC4=C3C=CC(=C4)O)C5=CC=CC=C5.C(C(C(=O)O)O)(C(=O)O)OInChIKey: INEHJXCWEVNEDZ-LUDNRVPPSA-NInChI: InChI=1S/C28H31NO2.C4H6O6/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29;5-1(3(7)8)2(6)4(9)10/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2;1-2,5-6H,(H,7,8)(H,9,10)/t26-,28+;1-,2-/m10/s1Synonyms: C73647 | SCHEMBL1649247 | 2-Naphthalenol, 5,6,7,8-tetrahydro-6-phenyl-5-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-, (5R,6S...
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L-CystineCas#: 56-89-3 Compound CID: 67678Formula: C6H12N2O4S2 Molecular Weight: 240.3IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acidSMILES: C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)NInChIKey: LEVWYRKDKASIDU-IMJSIDKUSA-NInChI: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1Synonyms: b,b'-Dithiodialanine | CYSTINE (EP MONOGRAPH) | (R,R)-3,3'-dithiobis(2-aminopropanoic acid) | CYSTINE [INN] | Cystine...
