Reference Materials-Aladdin Scientific

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Glycyrrhizic acid, Inhibitor of OATP1B1;Inhibitor of OATP1B3
Cas#: 1405-86-3 Compound CID: 14982

Formula: C₄₂H₆₂O₁₆ Molecular Weight: 822.93

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C

InChIKey: LPLVUJXQOOQHMX-QWBHMCJMSA-N

InChI: InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

Synonyms: (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDU...
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Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
- ≥99%(HPLC)
Cas#: 10540-29-1

Formula: C₂₆H₂₉NO Molecular Weight: 371.51

IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChIKey: NKANXQFJJICGDU-QPLCGJKRSA-N

InChI: InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-

Synonyms: (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
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2,3-Dichloro-1,4-naphthoquinone
- 1000μg/ml,in Purge and Trap Methanol
Cas#: 117-80-6(methanol)

Formula:

SMILES: ClC1=C(Cl)C(=O)c2ccccc2C1=O

InChIKey: SVPKNMBRVBMTLB-UHFFFAOYSA-N

InChI: 1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
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Menadione
Cas#: 58-27-5 Compound CID: 4055

Formula: C₁₁H₈O₂ Molecular Weight: 172.18

IUPAC Name: 2-methylnaphthalene-1,4-dione

SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

InChI: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3

Synonyms: Juva-K | Kareon | MENADIONE [MART.] | 2-Methyl-1,4-naftochinon | Menadione (Vitamin K3) 10 microg/mL in Acetonitrile ...
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Corosolic acid
- ≥98%
Cas#: 4547-24-4 Compound CID: 6918774

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.70

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1C)C)C(=O)O

InChIKey: HFGSQOYIOKBQOW-ZSDYHTTISA-N

InChI: InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

Synonyms: BENZYL5-AMINOPYRAZOLE-4-CARBOXYLATE | Corosolic acid, analytical standard | Corosolic acid, United States Pharmacopei...
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2,3-Dichloro-1,4-naphthoquinone
Cas#: 117-80-6 Compound CID: 8342

Formula: C₁₀H₄Cl₂O₂ Molecular Weight: 227.04

IUPAC Name: 2,3-dichloronaphthalene-1,4-dione

SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl

InChIKey: SVPKNMBRVBMTLB-UHFFFAOYSA-N

InChI: InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H

Synonyms: 2,3-Dichloro-1,4-naphthoquinone|117-80-6|DICHLONE|2,3-dichloronaphthalene-1,4-dione|Phygon|Diclone|2,3-Dichloronaphth...
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Andrographolide
Cas#: 5508-58-7 Compound CID: 5318517

Formula: C₂₀H₃₀O₅ Molecular Weight: 350.45

IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O

InChIKey: BOJKULTULYSRAS-OTESTREVSA-N

InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1

Synonyms: ANDROGRAPHOLIDE [MI] | DTXCID1025980 | Q-100624 | DTXSID3045980 | (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-...
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Glycyrrhizic acid, Inhibitor of OATP1B1;Inhibitor of OATP1B3
- 10mM in DMSO
Cas#: 1405-86-3 Compound CID: 14982

Formula: C₄₂H₆₂O₁₆ Molecular Weight: 822.93

IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C

InChIKey: LPLVUJXQOOQHMX-QWBHMCJMSA-N

InChI: InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

Synonyms: Glycyrrhizic acid|glycyrrhizin|1405-86-3|Glycyrrhizinic acid|Glycyron|Glycyrrhetinic acid glycoside|potenlini|Glizige...
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β-Lapachone
- ≥99%
Cas#: 4707-32-8 Compound CID: 3885

Formula: C₁₅H₁₄O₃ Molecular Weight: 242.27

IUPAC Name: 2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione

SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C

InChIKey: QZPQTZZNNJUOLS-UHFFFAOYSA-N

InChI: InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3

Synonyms: ARQ-501 | 2,2-Dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione | lapachone | NSC 26326 | 3,4-Dihydro-2,2-dimethyl-2...
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