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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Diphenyl guanidine
- ≥99.5%(HPLC)
- for titrimetry
Cas#: 102-06-7 Compound CID: 7594

Formula: C₁₃H₁₃N₃ Molecular Weight: 211.26

IUPAC Name: 1,2-diphenylguanidine

SMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N

InChIKey: OWRCNXZUPFZXOS-UHFFFAOYSA-N

InChI: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)

Synonyms: 1,3-Diphenylguanidine|102-06-7|Diphenylguanidine|N,N'-DIPHENYLGUANIDINE|Vulkazit|1,2-diphenylguanidine|Accelerator D|...
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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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Opipramol, Agonist of sigma non-opioid intracellular receptor 1
- ≥98%
Cas#: 315-72-0 Compound CID: 9417

Formula: C₂₃H₂₉N₃O Molecular Weight: 363.5

IUPAC Name: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO

InChIKey: YNZFUWZUGRBMHL-UHFFFAOYSA-N

InChI: InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2

Synonyms: 5H-Dibenz[b, 5-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]- | Q416562 | Opipramol (INN) | DTXSID3023394 | 4-[3-(5H-D...
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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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Progesterone solution, Progesterone receptor agonist
- 1.00mg/ml in methanol
Cas#: 57-83-0 Compound CID: 5994

Formula: C₂₁H₃₀O₂ Molecular Weight: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

Synonyms: Luteodyn | Progestron | Cyclogesterin | Hormoluton | Lucorteum | Utrogest | Gynolutone | Progesteronum [INN-Latin] | ...
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Quetiapine, Agonist of 5-HT 1A 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;Antagonist of 5-HT 2A receptor;Antagonist of D 2 receptor;Antagonist of H 1 receptor;Inhibitor of NET
- ≥98%
Cas#: 111974-69-7 Compound CID: 5002

Formula: C₂₁H₂₅N₃O₂S Molecular Weight: 383.51

IUPAC Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChIKey: URKOMYMAXPYINW-UHFFFAOYSA-N

InChI: InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

Synonyms: 2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol | 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiper...
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Rotundine
- ≥98%(HPLC)
Cas#: 10097-84-4 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: tetrahydropalmatine|2934-97-6|Rotundine|10097-84-4|DL-Tetrahydropalmatine|ROTUNDINUM|corydalis B|Hyndarin|Tetrahydrop...
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Tetrahydropalmatine
- ≥97%
Cas#: 2934-97-6 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline | FT-0634567 | NCGC00073008-04 | 6H-Dibenz...
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Tetrahydropalmatine
- 10mM in DMSO
Cas#: 2934-97-6 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: tetrahydropalmatine|2934-97-6|Rotundine|10097-84-4|DL-Tetrahydropalmatine|ROTUNDINUM|corydalis B|Hyndarin|Tetrahydrop...
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