Bicyclic monoterpenoids

(1R)-2-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0²,⁶]decan-4-yl]propan-1-amine hydrochloride

Grade & Purity:

≥97%

Cas Number: 178455-04-4 Compound CID: 56972088

IUPAC Name: (1R)-2-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propan-1-amine;hydrochloride

SMILES: B1(OC2CC3CC(C3(C)C)C2(O1)C)C(C(C)C)N.Cl

InChIKey: KVVHHYLDRUDGST-AKDYBRCWSA-N

InChI: InChI=1S/C14H26BNO2.ClH/c1-8(2)12(16)15-17-11-7-9-6-10(13(9,3)4)14(11,5)18-15;/h8-12H,6-7,16H2,1-5H3;1H/t9-,10-,11+,12-,14-;/m0./s1

Synonyms: 178455-04-4 | (R)-2-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)pro...

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waixenicin A

Grade & Purity:

Moligand™

Cas Number: 95230-65-2 Compound CID: 73755210

IUPAC Name: (2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate

SMILES: CC(=O)OC/C(=C/C[C@@H](C1=CO[C@@H]([C@@H]2[C@@H]1CCC(=CCCC2=C)C)OC(=O)C)OC(=O)C)/C

InChIKey: DCZJIZRGTZFSQY-JQIWXNGPSA-N

InChI: InChI=1S/C26H36O7/c1-16-8-7-9-18(3)25-22(12-10-16)23(15-31-26(25)33-21(6)29)24(32-20(5)28)13-11-17(2)14-30-19(4)27/h8,11,15,22,24-26H,3,7,9-10,12-14H2show more

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K-80003

Grade & Purity:

Moligand™

Cas Number: 1292821-90-9 Compound CID: 46224594

IUPAC Name: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]acetic acid

SMILES: OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)C(C)C)/c2c1cc(F)cc2

InChIKey: QCXBVGNDRYQVJO-GRSHGNNSSA-N

InChI: InChI=1S/C22H21FO2/c1-13(2)16-6-4-15(5-7-16)10-19-14(3)20(12-22(24)25)21-11-17(23)8-9-18(19)21/h4-11,13H,12H2,1-3H3,(H,24,25)/b19-10-

Synonyms: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-propan-2-ylphenyl)methylidene]inden-1-yl]acetic acid | GTPL10347 | SCHEMBL2593408 | 1...

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2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid

Grade & Purity:

Moligand™

IUPAC Name: 2-[(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(3-carbamoylphenyl)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid

SMILES: OC(=O)CC(C1=C/C(=c/2\[nH]c3c([nH]2)ccc(c3)C(=N)N)/C(=O)C(=C1)c1cccc(c1)C(=O)N)C(=O)O

InChIKey: WFPGMUDIBWJJND-JJIBRWJFSA-N

InChI: InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,29-30H,10Hshow more

Synonyms: compound 11

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mecamylamine

Grade & Purity:

Moligand™

Cas Number: 60-40-2 Compound CID: 4032

IUPAC Name: N,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine

SMILES: CNC1(C)C2CCC(C1(C)C)C2

InChIKey: IMYZQPCYWPFTAG-UHFFFAOYSA-N

InChI: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3

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isocarbacyclin

Grade & Purity:

Moligand™

IUPAC Name: 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid

SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1CC(=C2)CCCCC(=O)O)O

InChIKey: JANVYOZZTKSZGN-WCAFQOMDSA-N

InChI: InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h10-12,16-20,22-23H,2-9,13-14H2,1H3,(H,24,25)/b11-10+/t16-,show more

Synonyms: 2-Pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-, (3aS-(3a-alpha,5-beta,6-alpha(...

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domitroban

Grade & Purity:

Moligand™

Cas Number: 112966-96-8 Compound CID: 5312138

IUPAC Name: (Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

SMILES: OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1NS(=O)(=O)c1ccccc1)C2

InChIKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N

InChI: InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6show more

Synonyms: SCHEMBL361563 | [3H]S-145 | (+)-S-145 | NCGC00186402-01 | (Z)-7-[(1R,4S,5S,6S)-5-(phenylsulfonylamino)-6-bicyclo[2.2....

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deramciclane

Grade & Purity:

Moligand™

Cas Number: 120444-71-5 Compound CID: 119590

IUPAC Name: N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine

SMILES: CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCN(C)C)C)C

InChIKey: QOBGWWQAMAPULA-RLLQIKCJSA-N

InChI: InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1

Synonyms: DB06512 | DTXSID10152862 | UNII-O5KFK61E74 | N,N-Dimethyl-2-(((1R,2S,4R)-2-phenyl-2-bornyl)oxy)ethylamine | Egyt 3886...

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ONO-3708

Grade & Purity:

Moligand™

Cas Number: 102191-05-9 Compound CID: 5311334

IUPAC Name: (Z)-7-[(1S,2S,3S,5R)-3-[[(2R)-2-cyclopentyl-2-hydroxyacetyl]amino]-7,7-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

SMILES: OC(=O)CCC/C=C\C[C@@H]1[C@@H](NC(=O)[C@@H](C2CCCC2)O)C[C@H]2C[C@@H]1C2(C)C

InChIKey: SXHUZJPIRVLMHY-AZPSIHDESA-N

InChI: InChI=1S/C23H37NO4/c1-23(2)16-13-18(23)17(11-5-3-4-6-12-20(25)26)19(14-16)24-22(28)21(27)15-9-7-8-10-15/h3,5,15-19,21,27H,4,6-14H2,1-2H3,(H,24,28)(H,2show more

Synonyms: Q27088185 | 5-Heptenoic acid, 7-(3-((cyclopentylhydroxyacetyl)amino)-6,6-dimethylbicyclo(3.1.1)hept-2-yl)-, (1S-(1-al...

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L-366,509

Grade & Purity:

Moligand™

IUPAC Name: 2-[6-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]acetic acid

SMILES: OC(=O)CC1(O)CC2C(C1(CC2)CS(=O)(=O)N1CCC2(CC1)C=Cc1c2cccc1)(C)C

InChIKey: XKVDTEPESVJNPJ-UHFFFAOYSA-N

InChI: InChI=1S/C25H33NO5S/c1-22(2)19-8-10-24(22,25(29,15-19)16-21(27)28)17-32(30,31)26-13-11-23(12-14-26)9-7-18-5-3-4-6-20(18)23/h3-7,9,19,29H,8,10-17H2,1-2show more

Synonyms: L-366,509 | GTPL2242 | DTXSID80930098 | Bicyclo(2.2.1)heptane-2-acetic acid, 2-hydroxy-7,7-dimethyl-1-((spiro(1H-inde...

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L-367,773

Grade & Purity:

Moligand™

IUPAC Name: N-[(1S,4R,6S)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-6-bicyclo[2.2.1]heptanyl]-2-(3H-imidazol-4-yl)acetamide

SMILES: O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C

InChIKey: VQAVBHLGXVZOKM-RASJMTDNSA-N

InChI: InChI=1S/C28H38N4O3S/c1-26(2)21-8-10-28(26,24(15-21)31-25(33)16-22-17-29-19-30-22)18-36(34,35)32-13-11-27(12-14-32)9-7-20-5-3-4-6-23(20)27/h3-6,17,19,show more

Synonyms: L 367773;L-367773

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I-SAP

Grade & Purity:

Moligand™

Cas Number: 133538-58-6 Compound CID: 5312147

IUPAC Name: (Z)-7-[(1S,2S,3S,5R)-3-[(4-iodophenyl)sulfonylamino]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

SMILES: CC1(C2CC1C(C(C2)NS(=O)(=O)C3=CC=C(C=C3)I)CC=CCCCC(=O)O)C

InChIKey: SZNMERGTFJHNSM-JAWYFFTGSA-N

InChI: InChI=1S/C22H30INO4S/c1-22(2)15-13-19(22)18(7-5-3-4-6-8-21(25)26)20(14-15)24-29(27,28)17-11-9-16(23)10-12-17/h3,5,9-12,15,18-20,24H,4,6-8,13-14H2,1-2Hshow more

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Bicyclic monoterpenoids

Description:

Ancestors: