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Drug Metabolite

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  1. N-desmethylclozapine, Allosteric modulator of M 1 receptor
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    N-desmethylclozapine, Allosteric modulator of M 1 receptor
    CAS: 6104-71-8 EC Number: 636-421-7 Formula: C17H17ClN4 Molecular Weight: 312.8
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    In Stock Item #: N298816
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    IUPAC Name
    3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    SMILES
    C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
    InChIKey
    JNNOSTQEZICQQP-UHFFFAOYSA-N
    InChI
    1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
    Synonyms
    BCP30683 | CAS_2820 | GTPL333 | UNII-1I9001LWY8 | BDBM50122054 | BRD-K10042277-001-04-3 | Desmethylclozapine | 3-chlo...
  2. Melamine
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    Melamine
    CAS: 108-78-1 EC Number: 203-615-4 Formula: C3H6N6 Molecular Weight: 126.12
    ≥99%
    In Stock Item #: M108433
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    Technical Identifiers
    IUPAC Name
    1,3,5-triazine-2,4,6-triamine
    SMILES
    C1(=NC(=NC(=N1)N)N)N
    InChIKey
    JDSHMPZPIAZGSV-UHFFFAOYSA-N
    InChI
    1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
    Synonyms
    Triaminotriazine | s-Triazinetriamine | Pluragard | Cyanuric triamide | Yukamelamine | Hicophor PR | Cyanurotriamine ...
  3. Modecainide
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    Modecainide
    CAS: 81329-71-7 Formula: C22H28N2O3 Molecular Weight: 368.47
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: M333413
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    Technical Identifiers
    IUPAC Name
    4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
    SMILES
    CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)O)OC
    InChIKey
    LBYXPDAENJSHDD-UHFFFAOYSA-N
    InChI
    1S/C22H28N2O3/c1-24-14-6-5-8-18(24)12-10-16-7-3-4-9-19(16)23-22(26)17-11-13-20(25)21(15-17)27-2/h3-4,7,9,11,13,15,18,25H,5-6,8,10,12,14H2,1-2H3,(H,23,show more
    Synonyms
    BMY 40327 | Modecainidum [INN-Latin] | BMY-40327 | MJ 14030 | Modecainidum | 3-Methoxy-O-demethylencainide | 4-hydrox...
  4. N-Acetyl-S-allyl-L-cysteine
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    N-Acetyl-S-allyl-L-cysteine
    CAS: 23127-41-5 Formula: C8H13NO3S Molecular Weight: 203.26
    Solid ≥97%
    In Stock Item #: N351953
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    IUPAC Name
    (2R)-2-acetamido-3-prop-2-enylsulfanylpropanoic acid
    SMILES
    CC(=O)NC(CSCC=C)C(=O)O
    InChIKey
    LKRAEHUDIUJBSF-ZETCQYMHSA-N
    InChI
    1S/C8H13NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h3,7H,1,4-5H2,2H3,(H,9,10)(H,11,12)/t7-/m0/s1
    Synonyms
    N-Acetyl-S-allylcysteine | N-Acetyl-S-allyl-L-cysteine | HY-114976 | CHEBI:189718 | L-Cysteine, N-acetyl-S-2-propen-1...
  5. seco Rapamycin Sodium Salt
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    seco Rapamycin Sodium Salt
    CAS: 148554-65-8 PubChem CID: 71772273 Formula: C51H78NO13・Na Molecular Weight: 936.15
    ≥80%
    Out of Stock Item #: S329260
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    Technical Identifiers
    IUPAC Name
    sodium;(2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dshow more
    SMILES
    CC1CCC(OC1(C(=O)C(=O)N2CCCCC2C(=O)[O-])O)CC(C(=CC=CC=CC(C)CC(C)C(=O)C(C(C(=CC(C)C(=O)C=CC(C)CC3CCC(C(C3)OC)O)C)O)OC)C)OC.[Na+]
    InChIKey
    DNMSBJYMPJMFNS-OWGFPTNRSA-M
    InChI
    1S/C51H79NO13.Na/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22show more
    Synonyms
    [2R-[2α,2(S*),3α,6β[2S*,3E,5E,7E,9S*,11R*,13R*,14R*,15E,17R*,19E/Z,21R*,22(1S*,3R*,4R*)]]]-1-[Oxo[tetrahydro-2-hydrox...
  6. (3R,5S)-Atorvastatin Sodium Salt
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    (3R,5S)-Atorvastatin Sodium Salt
    CAS: 131275-93-9 Formula: C33H34FN2NaO5 Molecular Weight: 580.62
    Out of Stock Item #: A339013
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    IUPAC Name
    sodium;(3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
    SMILES
    CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]
    InChIKey
    VVRPOCPLIUDBSA-MFHXMFJOSA-M
    InChI
    1S/C33H35FN2O5.Na/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-1show more
    Synonyms
    J-005971 | (3R,5S)-Atorvastatin (sodium) | Atorvastatin 10-Trans (Atorvastatin Impurity AT10) | DTXSID80675639 | (3R,...
  7. Norgestimate metabolite Norelgestromin (mixture of isomers), Progesterone receptor agonist
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    Norgestimate metabolite Norelgestromin (mixture of isomers), Progesterone receptor agonist
    CAS: 53016-31-2 Formula: C21H29NO2 Molecular Weight: 327.46
    ≥98%
    In Stock Item #: D336719
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    IUPAC Name
    (3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
    SMILES
    CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NO)CCC34
    InChIKey
    ISHXLNHNDMZNMC-VTKCIJPMSA-N
    InChI
    1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+/t16-,17+,18+,19-,20-,show more
    Synonyms
    ((E)-Norelgestromin) | DTXSID9046788 | (3E)-13.BETA.-ETHYL-3-(HYDROXYIMINO)-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17...
  8. 2-Amino-1-(2,5-dimethoxyphenyl)ethanol
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    2-Amino-1-(2,5-dimethoxyphenyl)ethanol
    CAS: 3600-87-1 EC Number: 868-039-3 Formula: C10H15NO3 Molecular Weight: 197.24
    ≥97%
    In Stock Item #: A353857
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    Technical Identifiers
    IUPAC Name
    2-amino-1-(2,5-dimethoxyphenyl)ethanol
    SMILES
    COC1=CC(=C(C=C1)OC)C(CN)O
    InChIKey
    VFRCNXKYZVQYLX-UHFFFAOYSA-N
    InChI
    1S/C10H15NO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
    Synonyms
    SCHEMBL476432 | C21521 | Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy- | ST 1059 | 1-(2',5'-Dimethoxyphenyl)amin...
  9. Quercetin 7-O-β-D-Glucuronide
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    Quercetin 7-O-β-D-Glucuronide
    CAS: 38934-20-2 PubChem CID: 11641481 Formula: C21H18O13 Molecular Weight: 478.36
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: Q346716
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    IUPAC Name
    (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O)O
    InChIKey
    JXWGCVLNCGCZRU-JENRNSKYSA-N
    InChI
    1S/C21H18O13/c22-8-2-1-6(3-9(8)23)18-15(27)13(25)12-10(24)4-7(5-11(12)33-18)32-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(Hshow more
    Synonyms
    A-D-Glucuronide | (2S,3S,4S,5R,6S)-6-((2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydr...
  10. 1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane
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    1,1-Dichloro-2,2-bis(4-chlorophenyl)ethane
    CAS: 72-54-8 EC Number: 200-783-0 Formula: C14H10Cl4 Molecular Weight: 320.04
    ≥98%(GC)
    In Stock Item #: D115083
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    IUPAC Name
    1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
    SMILES
    C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl
    InChIKey
    AHJKRLASYNVKDZ-UHFFFAOYSA-N
    InChI
    1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
    Synonyms
    TDE | 1,1-DICHLORO-2,2-BIS(P-CHLOROPHENYL)ETHANE [MI] | 1,2-bis(4-cloro-fenil)-etano | 1,1-Dicloro-2,2-bis(4-cloro-fe...
  11. 4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
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    4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol
    CAS: 949095-98-1 Formula: C18H19NOS Molecular Weight: 297.42
    ≥97%
    Out of Stock Item #: M377839
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    Technical Identifiers
    IUPAC Name
    4-[3-(methylamino)-1-thiophen-2-ylpropyl]naphthalen-1-ol
    SMILES
    CNCCC(C1=CC=C(C2=CC=CC=C21)O)C3=CC=CS3
    InChIKey
    OJXMJLCWKLPCHB-UHFFFAOYSA-N
    InChI
    1S/C18H19NOS/c1-19-11-10-16(18-7-4-12-21-18)14-8-9-17(20)15-6-3-2-5-13(14)15/h2-9,12,16,19-20H,10-11H2,1H3
    Synonyms
    ?RS)-4-(3-Methylamino-1-thiophen-2-yl-propyl)-naphthalen-1-ol | BRN 1803774 | Prestwick1_000912 | SCHEMBL13700329 | 4...
  12. (R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
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    (R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
    CAS: 220246-81-1 PubChem CID: 9816296 Formula: C13H15N3O2 Molecular Weight: 245.28
    Out of Stock Item #: R341950
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    Technical Identifiers
    IUPAC Name
    N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
    SMILES
    CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C
    InChIKey
    GDZXNMWZXLDEKG-MRVPVSSYSA-N
    InChI
    1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
    Synonyms
    dihydropyridazinone 6a | N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide | (R)-N-(4-(4-methy...
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