按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥95 atom% D,≥98%, ≥99 atom% 13C,≥98 atom% D,≥98%, ≥98 atom% D,≥95%

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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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左乙拉西坦-d3
- ≥95 atom% D,≥98%
CAS号 : 1217851-16-5 Compound CID : 45039653

分子式: C₈H₁₁D₃N₂O₂ 分子量: 173.23

IUPAC Name: (2S)-4,4,4-trideuterio-2-(2-oxopyrrolidin-1-yl)butanamide

SMILES: CCC(C(=O)N)N1CCCC1=O

InChIKey: HPHUVLMMVZITSG-FYFSCIFKSA-N

InChI: InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1/i1D3
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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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棕榈酸-d31
- ≥95 atom% D,≥98%
CAS号 : 39756-30-4 Compound CID : 16212358

分子式: C₁₆D₃₁HO₂ 分子量: 287.62

IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-SAQPIRCFSA-N

InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
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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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苯乙醛酸-d5
- ≥95 atom% D,≥98%
CAS号 : 1217089-53-6 Compound CID : 46782741

分子式: C₈HD₅O₃ 分子量: 155.16

IUPAC Name: 2-oxo-2-(2,3,4,5,6-pentadeuteriophenyl)acetic acid

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

InChIKey: FAQJJMHZNSSFSM-RALIUCGRSA-N

InChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)/i1D,2D,3D,4D,5D
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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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4-羟基雌酮-d4
- ≥95 atom% D,≥98%
CAS号 : 81586-98-3 Compound CID : 71749017

分子式: C₁₈H₁₈D₄O₃ 分子量: 290.39

IUPAC Name: (8R,9S,13S,14S)-1,2,16,16-tetradeuterio-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4O)O

InChIKey: XQZVQQZZOVBNLU-RFZGAVBWSA-N

InChI: InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1/i4D,6D,7D2
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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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1α,25-二羟基维生素D3-26,26,26,27,27,27-d₆溶液
- ≥98 atom% D,≥95%
- 100μg/mL in ethanol
CAS号 : 78782-99-7 Compound CID : 13019073

分子式: C₂₇H₄₄O₃ 分子量: 422.67

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChIKey: GMRQFYUYWCNGIN-HLEVXKMQSA-N

InChI: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i3D3,4D3
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