Phenanthrenes and derivatives

Description:

Polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Phenanthrenes and derivatives

HIV-1 Nef-IN-1
- ≥98%
Cas Number: 13728-56-8 Compound CID: 96904

Formula: C₁₈H₁₆O₂ Molecular Weight: 264.32

IUPAC Name: 4-phenanthren-3-ylbutanoic acid

SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCCC(=O)O

InChIKey: NYIVWTWKIQOBKO-UHFFFAOYSA-N

InChI: InChI=1S/C18H16O2/c19-18(20)7-3-4-13-8-9-15-11-10-14-5-1-2-6-16(14)17(15)12-13/h1-2,5-6,8-12H,3-4,7H2,(H,19,20)
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Dibenzo[f,h]quinoxaline
- ≥97%
Cas Number: 217-68-5

Formula: C₁₆H₁₀N₂ Molecular Weight: 230.26

IUPAC Name: phenanthro[9,10-b]pyrazine

SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC=CN=C24

InChIKey: KBBSSGXNXGXONI-UHFFFAOYSA-N

InChI: InChI=1S/C16H10N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16/h1-10H

Synonyms: 1,4-Diazatriphenylene | Phenanthro[9,10-b]pyrazine
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9-Vinylphenanthrene
- ≥95%
Cas Number: 14134-06-6 Compound CID: 1266031

IUPAC Name: 9-ethenylphenanthrene

SMILES: C=CC1=CC2=CC=CC=C2C3=CC=CC=C31

InChIKey: KTPLMACSFXCPHL-UHFFFAOYSA-N

InChI: InChI=1S/C16H12/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h2-11H,1H2
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1-Methylphenanthrene
Cas Number: 832-69-9

Formula: C₁₅H₁₂ Molecular Weight: 192.26

IUPAC Name: 1-methylphenanthrene

SMILES: CC1=C2C=CC3=CC=CC=C3C2=CC=C1

InChIKey: DOWJXOHBNXRUOD-UHFFFAOYSA-N

InChI: InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
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14H-Anthra[2，1，9-mna]thioxanthen-14-one
- ≥95%
Cas Number: 16294-75-0 EC Number: 240-385-4 Compound CID: 85358

Formula: C₂₃H₁₂OS Molecular Weight: 336.4

IUPAC Name: 8-thiahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,9,11,13,15,17,20(24),21-undecaen-19-one

SMILES: C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)C6=CC=CC=C6S4

InChIKey: NVNWZZLOQBHTCW-UHFFFAOYSA-N

InChI: InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H
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Perylene
- ≥97%
Cas Number: 198-55-0 EC Number: 205-900-9

Formula: C₂₀H₁₂ Molecular Weight: 252.31

IUPAC Name: perylene

SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

InChIKey: CSHWQDPOILHKBI-UHFFFAOYSA-N

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

Synonyms: Dibenz[de,kl]anthracene | Peri-dinaphthalene
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Samidorphan L-malate
Cas Number: 1204592-75-5

Formula: C₂₅H₃₂N₂O₉ Molecular Weight: 504.5

IUPAC Name: (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(2S)-2-hydroxybutanshow more

SMILES: C1CC1CN2CCC34CC(=O)CCC3(C2CC5=C4C(=C(C=C5)C(=O)N)O)O.C(C(C(=O)O)O)C(=O)O

InChIKey: RARHXUAUPNYAJF-QSYGGRRVSA-N

InChI: InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27Hshow more

Synonyms: SAMIDORPHAN L-MALATE | SAMIDORPHAN L-MALATE [ORANGE BOOK] | MORPHINAN-3-CARBOXAMIDE, 17-(CYCLOPROPYLMETHYL)-4,14-DIHY...

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Methylsamidorphan
Cas Number: 1119361-12-4 Compound CID: 71484494

Formula: C₂₂H₂₉N₂O₄⁺ Molecular Weight: 385.5

IUPAC Name: (1R,9R,10S,17R)-17-(cyclopropylmethyl)-3,10-dihydroxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide

SMILES: C[N+]1(CCC23CC(=O)CCC2(C1CC4=C3C(=C(C=C4)C(=O)N)O)O)CC5CC5

InChIKey: ATCVVCBJNHXIEX-ZAHKBLQYSA-O

InChI: InChI=1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,2show more

Synonyms: Methylsamidorphan | Methylsamidorphan cation | DB15241 | RDC-1036-00 | ALKS37 | RDC-1036 CATION | ALKS 37 | RDC-1036 ...

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Nopan
Formula: C₂₉H₄₂ClNO₄ Molecular Weight: 504.1

IUPAC Name: (1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20show more

SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl

InChIKey: UAIXRPCCYXNJMQ-HPRIMLMLSA-N

InChI: InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-show more

Synonyms: UM-952 | UAIXRPCCYXNJMQ-HPRIMLMLSA-N | CHEMBL2368861 | [5?,7?(S)]-17-(Cyclopropylmethyl)-?-(1,1-dimethylethyl)-4,5-ep...

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(1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Formula: C₂₉H₄₁NO₄ Molecular Weight: 467.6

IUPAC Name: (1S,2S,6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20show more

SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O

InChIKey: RMRJXGBAOAMLHD-CTAPUXPBSA-N

InChI: InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24show more

Synonyms: SCHEMBL15820 | BDBM50354578 | RMRJXGBAOAMLHD-CTAPUXPBSA-N | CHEMBL511142

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Oxicodegol
Formula: C₃₁H₄₉NO₁₀ Molecular Weight: 595.7

IUPAC Name: (4R,7S,7aR,12bS)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzshow more

SMILES: CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O)OCCOCCOCCOCCOCCOCCOC

InChIKey: RQHILGKAOIGUHU-BUCMUWKRSA-N

InChI: InChI=1S/C31H49NO10/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34show more

Synonyms: Oxicodegol | CHEMBL4297632

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2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione
Formula: C₂₈H₂₈N₂O₅ Molecular Weight: 472.5

IUPAC Name: 2-[(4aS,7R,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]isoindole-1,3-dione

SMILES: C1CC1CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)N7C(=O)C8=CC=CC=C8C7=O

InChIKey: DHAITNWJDOSRBU-RCSSWNHXSA-N

InChI: InChI=1S/C28H28N2O5/c31-20-8-7-16-13-21-28(34)10-9-19(30-25(32)17-3-1-2-4-18(17)26(30)33)24-27(28,22(16)23(20)35-24)11-12-29(21)14-15-5-6-15/h1-4,7-8,show more

Synonyms: TAK-363 | TRK-130 | CHEMBL3545408 | TAK363

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