Phenanthrenes and derivatives

dagrocorat

Grade & Purity:

Cas Number: 1044535-52-5 Compound CID: 24873449

Formula: C₂₉H₂₉F₃N₂O₂ Molecular Weight: 494.5

IUPAC Name: (4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide

SMILES: CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)C4(CCC(CC4CC3)(C(F)(F)F)O)CC5=CC=CC=C5

InChIKey: QJJBNCHSWFGXML-KEKPKEOLSA-N

InChI: InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15show more

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[³H]diprenorphine

Grade & Purity:

Moligand™

SMILES: CO[C@]12CC[C@]3(C[C@@H]1C(O)(C)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(C(C1[3H])[3H])CC1CC1)ccc2O

InChIKey: OIJXLIIMXHRJJH-ZXJLXYCOSA-N

InChI: InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4show more

Synonyms: [15,16-³H]diprenorphine

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JFD00064

Grade & Purity:

Moligand™

IUPAC Name: 2-[(1-cyanophenanthren-3-yl)methyl]phenanthrene-1-carbonitrile

SMILES: N#Cc1c(ccc2c1ccc1c2cccc1)Cc1cc(C#N)c2c(c1)c1ccccc1cc2

InChIKey: IXJJCXATJSXNJM-UHFFFAOYSA-N

InChI: InChI=1S/C31H18N2/c32-18-24-16-20(17-30-26-8-4-2-6-22(26)9-12-27(24)30)15-23-11-14-28-25-7-3-1-5-21(25)10-13-29(28)31(23)19-33/h1-14,16-17H,15H2

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CP-628006

Grade & Purity:

Moligand™

IUPAC Name: (4bS,7S,8aR)-4b-benzyl-7-hydroxy-N-[(2-methylpyridin-3-yl)methyl]-7-(3,3,3-trifluoropropyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide

SMILES: [C@H]12CCc3c(ccc(c3)C(=O)NCc3c(C)nccc3)[C@]1(Cc1ccccc1)CC[C@](O)(CCC(F)(F)F)C2

InChIKey: KCAXPRFNWUOBNC-RDAHNBDFSA-N

InChI: InChI=1S/C32H35F3N2O2/c1-22-26(8-5-17-36-22)21-37-29(38)25-10-12-28-24(18-25)9-11-27-20-30(39,14-16-32(33,34)35)13-15-31(27,28)19-23-6-3-2-4-7-23/h2-8show more

Synonyms: CP628006

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BNTX

Grade & Purity:

Moligand™

Cas Number: 129468-28-6 Compound CID: 6438353

IUPAC Name: (1S,5R,13R,15Z,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-15-(phenylmethylidene)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,show more

SMILES: O=C1/C(=C\c2ccccc2)/C[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O

InChIKey: WXOUFNFMPVMGFZ-XEGDMQTMSA-N

InChI: InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,2show more

Synonyms: 7-benzylidenenaltrexone | Bntx-7 | (4R,4aS,6Z,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a...

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BU08028

Grade & Purity:

Moligand™

IUPAC Name: (2S)-2-[(5R,6R,7R,14S)-N-cyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6-methoxymorphinan-7-yl]-3,3-dimethylpentan-2-ol

SMILES: CO[C@]12CC[C@]3(C[C@@H]1[C@@](C(CC)(C)C)(O)C)[C@@]14[C@H]2Oc2c4c(C[C@H]3N(CC1)CC1CC1)ccc2O

InChIKey: HBENZIXOGRCSQN-VQWWACLZSA-N

InChI: InChI=1S/C30H43NO4/c1-6-26(2,3)27(4,33)21-16-28-11-12-30(21,34-5)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(32)24(35-25)23(19)29/h9-10,18,21-2show more

Synonyms: compound 1b

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Cyclopenta[d,e,f]phenanthrene

Grade & Purity:

≥97%

Cas Number: 203-64-5

Formula: C₁₅H₁₀ Molecular Weight: 190.24

IUPAC Name: tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

SMILES: C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3

InChIKey: RKZDZWJDQTZDLD-UHFFFAOYSA-N

InChI: InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2

Synonyms: 4H-Cyclopenta[def]phenanthrene | Methylenephenanthrene | 4-H-CYCLOPENTA[D,E,F]PHENANTHRENE | DTXSID1024887 | InChI=1/...

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Chrysene

Cas Number: 218-01-9 EC Number: 205-923-4

Formula: C₁₈H₁₂ Molecular Weight: 228.29

IUPAC Name: chrysene

SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

InChIKey: WDECIBYCCFPHNR-UHFFFAOYSA-N

InChI: InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

Synonyms: Chrysen | FT-0623810 | AI3-00867 | AKOS015904682 | AS-39344 | Benzo[a]phenanthrene (purified by sublimation) | Chryse...

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Benzo[b]fluoranthene-d₁₂

Grade & Purity:

≥98 atom% D,≥98%

Cas Number: 93951-98-5

Formula: C₂₀D₁₂ Molecular Weight: 264.38

IUPAC Name: 1,2,3,6,7,11,12,13,17,18,19,20-dodecadeuteriopentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

SMILES: C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1

InChIKey: FTOVXSOBNPWTSH-AQZSQYOVSA-N

InChI: InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

Synonyms: Benzo(b)fluoranthene (d12) | 1,2,3,6,7,11,12,13,17,18,19,20-dodecadeuteriopentacyclo[10.7.1.02,7.08,20.013,18]icosa-1...

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Benz[a]anthracene-d₁₂

Grade & Purity:

≥98 atom% D,≥99%

Cas Number: 1718-53-2

Formula: C₁₈D₁₂ Molecular Weight: 240.36

IUPAC Name: 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[a]anthracene

SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c([2H])c([2H])c3c([2H])c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c23

InChIKey: DXBHBZVCASKNBY-AQZSQYOVSA-N

InChI: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

Synonyms: AKOS015903794 | Benz[a]anthracene-d12, 98 atom % D | Benz[a]anthracene D12 10 microg/mL in Acetonitrile | D99428 | BA...

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2,9-Bis[2-(4-fluorophenyl)ethyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone

Grade & Purity:

≥95%

Cas Number: 215726-57-1

Formula: C40H24F2N2O4

IUPAC Name: 7,18-bis[2-(4-fluorophenyl)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,show more

SMILES: C1=CC(=CC=C1CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCC9=CC=C(C=C9)F)C2=O)F

InChIKey: NTVKTKREOVPUHX-UHFFFAOYSA-N

InChI: InChI=1S/C40H24F2N2O4/c41-23-5-1-21(2-6-23)17-19-43-37(45)29-13-9-25-27-11-15-31-36-32(40(48)44(39(31)47)20-18-22-3-7-24(42)8-4-22)16-12-28(34(27)36)2show more

Synonyms: 2,9-Bis[2-(4-fluorophenyl)ethyl]anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)tetrone, 95% | N,N inver...

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2,9-Bis[2-(4-chlorophenyl)ethyl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)tetrone

Grade & Purity:

≥98%

Cas Number: 215726-51-5

Formula: C40H24Cl2N2O4

IUPAC Name: 7,18-bis[2-(4-chlorophenyl)ethyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,show more

SMILES: C1=CC(=CC=C1CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCC9=CC=C(C=C9)Cl)C2=O)Cl

InChIKey: QSDATNMVYLQQKT-UHFFFAOYSA-N

InChI: InChI=1S/C40H24Cl2N2O4/c41-23-5-1-21(2-6-23)17-19-43-37(45)29-13-9-25-27-11-15-31-36-32(40(48)44(39(31)47)20-18-22-3-7-24(42)8-4-22)16-12-28(34(27)36)show more

Synonyms: 4ClPEPTC, N,N′-Bis[2-(4-chlorophenyl)ethyl]-3,4,9,10-perylenetetradicarboximide

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Phenanthrenes and derivatives

Description:

Ancestors: