按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥98%,≥98 atom% ¹⁵N, ≥98%(N), ≥98 atom% D,≥95%

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腺苷-5'-二磷酸钠盐
- ≥98%(N)
CAS号 : 16178-48-6 Compound CID : 85315

分子式: C₁₀H₁₃N₅Na₂O₁₀P₂ 分子量: 471.16

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]

InChIKey: ORKSTPSQHZNDSC-IDIVVRGQSA-L

InChI: InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
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哌拉西林钠
- ≥98%(N)
CAS号 : 59703-84-3 Compound CID : 23666879

分子式: C₂₃H₂₆N₅NaO₇S 分子量: 539.54

IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChIKey: WCMIIGXFCMNQDS-IDYPWDAWSA-M

InChI: InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1
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贝诺酯
- ≥98%(N)
CAS号 : 5003-48-5 Compound CID : 21102

分子式: C₁₇H₁₅NO₅ 分子量: 313.31

IUPAC Name: (4-acetamidophenyl) 2-acetyloxybenzoate

SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C

InChIKey: FEJKLNWAOXSSNR-UHFFFAOYSA-N

InChI: InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
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5-乙炔基-2'-脱氧胞苷
- ≥98%(N)
CAS号 : 69075-47-4 Compound CID : 15036533

分子式: C₁₁H₁₃N₃O₄ 分子量: 251.24

IUPAC Name: 4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O

InChIKey: HMJSYXIPNSASJY-DJLDLDEBSA-N

InChI: InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
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2-苯基乙酰胺
- ≥98%(N)
CAS号 : 103-81-1 Compound CID : 7680

分子式: C₈H₉NO 分子量: 135.17

IUPAC Name: 2-phenylacetamide

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

InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
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DEET-d10
- ≥98 atom% D,≥95%
CAS号 : 1215576-01-4

分子式: C₁₂H₇D₁₀NO 分子量: 201.33

IUPAC Name: 3-methyl-N,N-bis(1,1,2,2,2-pentadeuterioethyl)benzamide

SMILES: CCN(CC)C(=O)C1=CC=CC(=C1)C

InChIKey: MMOXZBCLCQITDF-IZUSZFKNSA-N

InChI: InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3/i1D3,2D3,4D2,5D2
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丙咪嗪-d6
- ≥98 atom% D,≥95%
CAS号 : 65100-45-0 Compound CID : 45039560

分子式: C₁₉H₁₈D₆N₂ 分子量: 286.44

IUPAC Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-bis(trideuteriomethyl)propan-1-amine

SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

InChIKey: BCGWQEUPMDMJNV-WFGJKAKNSA-N

InChI: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3/i1D3,2D3
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左氧氟沙星-d8
- ≥98 atom% D,≥95%
CAS号 : 1217716-71-6 Compound CID : 46782054

分子式: C₁₈H₁₂D₈FN₃O₄ 分子量: 369.42

IUPAC Name: (2S)-7-fluoro-2-methyl-6-(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

InChIKey: GSDSWSVVBLHKDQ-FMBBTWBHSA-N

InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)/t10-/m0/s1/i3D2,4D2,5D2,6D2
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敌敌畏-d6
- ≥98 atom% D,≥95%
CAS号 : 203645-53-8 Compound CID : 45038979

分子式: C₄HD₆Cl₂O₄P 分子量: 227.01

IUPAC Name: 2,2-dichloroethenyl bis(trideuteriomethyl) phosphate

SMILES: COP(=O)(OC)OC=C(Cl)Cl

InChIKey: OEBRKCOSUFCWJD-WFGJKAKNSA-N

InChI: InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3/i1D3,2D3
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紫杉醇-d5
- ≥98 atom% D,≥95%
CAS号 : 1129540-33-5 Compound CID : 25191011

分子式: C₄₇H₄₆D₅NO₁₄ 分子量: 858.94

IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChIKey: RCINICONZNJXQF-JQTCHTAZSA-N

InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1/i8D,12D,13D,18D,19D
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青霉素V-d5
- ≥98 atom% D,≥95%
CAS号 : 1356837-87-0 Compound CID : 45040190

分子式: C₁₆H₁₃D₅N₂O₅S 分子量: 355.42

IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-(2,3,4,5,6-pentadeuteriophenoxy)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C

InChIKey: BPLBGHOLXOTWMN-DHJOJNDJSA-N

InChI: InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1/i3D,4D,5D,6D,7D
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18-羟基皮质酮-9,11,12,12-d₄
- ≥98 atom% D,≥95%
CAS号 : 1257742-38-3

分子量: 366.48

SMILES: [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@H](C(=O)CO)[C@@]14CO

InChIKey: HFSXHZZDNDGLQN-NREATFFYSA-N

InChI: 1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i9D2,17D,19D
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