Phenoxy compounds

Bambuterol

Grade & Purity:

≥95%

Cas Number: 81732-65-2 Compound CID: 54766

Formula: C₁₈H₂₉N₃O₅ Molecular Weight: 367.44

IUPAC Name: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

SMILES: CC(C)(C)NCC(C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C)O

InChIKey: ANZXOIAKUNOVQU-UHFFFAOYSA-N

InChI: InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3

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3-[(1R)-1-(dimethylamino)ethyl]phenyl N-ethyl-N-methylcarbamate

Cas Number: 415973-05-6 Compound CID: 12133267

Formula: C₁₄H₂₂N₂O₂ Molecular Weight: 250.34

IUPAC Name: [3-[(1R)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

SMILES: CCN(C)C(=O)OC1=CC(=CC=C1)[C@@H](C)N(C)C

InChIKey: XSVMFMHYUFZWBK-LLVKDONJSA-N

InChI: InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m1/s1

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Phenyl sulfamate

Cas Number: 19792-91-7 Compound CID: 11030308

Formula: C₆H₇NO₃S Molecular Weight: 173.19

IUPAC Name: phenyl sulfamate

SMILES: C1=CC=C(C=C1)OS(=O)(=O)N

InChIKey: XOIYZMDJFLKIEI-UHFFFAOYSA-N

InChI: InChI=1S/C6H7NO3S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

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Demecarium

Cas Number: 16505-84-3 Compound CID: 5966

Formula: C₃₂H₅₂N₄O₄⁺2 Molecular Weight: 556.8

IUPAC Name: trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium

SMILES: CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C

InChIKey: RWZVPVOZTJJMNU-UHFFFAOYSA-N

InChI: InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26show more

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4-Bromophenyl 1,4-diazabicyclo(3.2.2)nonane-4-carboxylate

Cas Number: 298198-52-4 Compound CID: 9797360

Formula: C₁₄H₁₇BrN₂O₂ Molecular Weight: 325.2

IUPAC Name: (4-bromophenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate

SMILES: C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)Br

InChIKey: RXLOZRCLQMJJLC-UHFFFAOYSA-N

InChI: InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2

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Ladarixin sodium

Grade & Purity:

≥99%

Cas Number: 865625-56-5 EC Number: 691-863-8 Compound CID: 23709380

Formula: C₁₁H₁₁F₃NNaO₆S₂ Molecular Weight: 397.32

IUPAC Name: sodium;methylsulfonyl-[(2R)-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoyl]azanide

SMILES: CC(C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)C.[Na+]

InChIKey: QICAUCDBOAKDNS-OGFXRTJISA-M

InChI: InChI=1S/C11H12F3NO6S2.Na/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14;/h3-7H,1-2H3,(H,15,16);/q;+1/p-1/t7-;/m1./s1

Synonyms: Ladarixin (sodium) | DF 2156A | SODIUM METHANESULFONYL[(2R)-2-[4-(TRIFLUOROMETHANESULFONYLOXY)PHENYL]PROPANOYL]AZANID...

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neostigmine

Grade & Purity:

Moligand™

Cas Number: 59-99-4 Compound CID: 4456

IUPAC Name: [3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium

SMILES: O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C

InChIKey: ALWKGYPQUAPLQC-UHFFFAOYSA-N

InChI: InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1

Synonyms: NCGC00015730-02 | Neostigmine [BAN] | [3-(dimethylcarbamoyloxy)phenyl]-trimethyl-azanium; sulfonatooxymethane | Benze...

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DF2593A

Grade & Purity:

Moligand™

IUPAC Name: [4-[(1R)-1-(4-piperidin-1-ylbutanoylamino)ethyl]phenyl] trifluoromethanesulfonate

SMILES: C[C@H](c1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)CCCN1CCCCC1

InChIKey: QCZKLPFIGVYGPA-CQSZACIVSA-N

InChI: InChI=1S/C18H25F3N2O4S/c1-14(22-17(24)6-5-13-23-11-3-2-4-12-23)15-7-9-16(10-8-15)27-28(25,26)18(19,20)21/h7-10,14H,2-6,11-13H2,1H3,(H,22,24)/t14-/m1/sshow more

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4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[methyl(propyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate

Grade & Purity:

Moligand™

IUPAC Name: 4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[methyl(propyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate

SMILES: CCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)C

InChIKey: FXHALLFKKHHPNQ-XUTJKUGGSA-N

InChI: InChI=1S/C23H33ClN2O2/c1-4-17-25(2)18-7-5-6-8-19-9-13-21(14-10-19)26(3)23(27)28-22-15-11-20(24)12-16-22/h11-12,15-16,19,21H,4-5,7,9-10,13-14,17-18H2,1show more

Synonyms: compound 6

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4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[ethyl(2-hydroxyethyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate

Grade & Purity:

Moligand™

IUPAC Name: 4-chlorophenyl N-methyl-N-[(1r,4r)-4-{5-[ethyl(2-hydroxyethyl)amino]pent-1-yn-1-yl}cyclohexyl]carbamate

SMILES: OCCN(CCCC#C[C@@H]1CC[C@H](CC1)N(C(=O)Oc1ccc(cc1)Cl)C)CC

InChIKey: UBLUCOHGNHINJX-XUTJKUGGSA-N

InChI: InChI=1S/C23H33ClN2O3/c1-3-26(17-18-27)16-6-4-5-7-19-8-12-21(13-9-19)25(2)23(28)29-22-14-10-20(24)11-15-22/h10-11,14-15,19,21,27H,3-4,6,8-9,12-13,16-1show more

Synonyms: compound 5

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Di(adamantan-1-yl)(2-((triisopropylsilyl)oxy)phenyl)phosphine

Grade & Purity:

≥97%

Cas Number: 1384966-55-5

Formula: C₃₅H₅₅OPSi Molecular Weight: 550.87

IUPAC Name: bis(1-adamantyl)-[2-tri(propan-2-yl)silyloxyphenyl]phosphane

SMILES: CC(C)[Si](C(C)C)(C(C)C)OC1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6

InChIKey: LAQRMRNBWOVSBV-UHFFFAOYSA-N

InChI: InChI=1S/C35H55OPSi/c1-23(2)38(24(3)4,25(5)6)36-32-9-7-8-10-33(32)37(34-17-26-11-27(18-34)13-28(12-26)19-34)35-20-29-14-30(21-35)16-31(15-29)22-35/h7-show more

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3-Fluorophenyl trifluoromethanesulphonate

Grade & Purity:

≥98%

Cas Number: 57606-65-2

Formula: C₇H₄F₄O₃S Molecular Weight: 244.16

IUPAC Name: (3-fluorophenyl) trifluoromethanesulfonate

SMILES: C1=CC(=CC(=C1)F)OS(=O)(=O)C(F)(F)F

InChIKey: LKAKRVBLXMUOHC-UHFFFAOYSA-N

InChI: InChI=1S/C7H4F4O3S/c8-5-2-1-3-6(4-5)14-15(12,13)7(9,10)11/h1-4H

Synonyms: 3-Fluorophenyl trifluoromethanesulfonate # | (3-fluorophenyl) trifluoromethanesulfonate | m-Fluorophenyl trifluoromet...

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Phenoxy compounds

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