按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥75%(HPLC), ≥95 atom% D,≥96%, ≥98 atom% D,≥98%

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阿立哌唑-d8(Butyl-d8)
- ≥98 atom% D,≥98%
CAS号 : 1089115-04-7 Compound CID : 25144831

分子式: C₂₃D₈H₁₉Cl₂N₃O₂ 分子量: 456.43

IUPAC Name: 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

InChIKey: CEUORZQYGODEFX-BQLKVSHCSA-N

InChI: InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)/i1D2,2D2,10D2,15D2
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胃蛋白酶抑制剂
- ≥75%(HPLC)
CAS号 : 26305-03-3

分子式: C₃₄H₆₃N₅O₉ 分子量: 685.89

IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid

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

InChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-N

InChI: InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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甘草酸二钾水合物
- ≥75%(HPLC)
CAS号 : 68797-35-3 Compound CID : 656852

分子式: C₄₂H₆₀K₂O₁₆·xH₂O 分子量: 899.12(as Anhydrous)

IUPAC Name: dipotassium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[K+].[K+]

InChIKey: BIVBRWYINDPWKA-VLQRKCJKSA-L

InChI: InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
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苯甲酸-2,3,4,5,6-d5
- ≥98 atom% D,≥98%
CAS号 : 1079-02-3 Compound CID : 71603

分子式: C₆D₅CO₂H 分子量: 127.15

IUPAC Name: 2,3,4,5,6-pentadeuteriobenzoic acid

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

InChIKey: WPYMKLBDIGXBTP-RALIUCGRSA-N

InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
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褪黑素D4
- ≥98 atom% D,≥98%
CAS号 : 66521-38-8 Compound CID : 12358981

分子式: C₁₃H₁₂D₄N₂O₂ 分子量: 236.3

IUPAC Name: N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChIKey: DRLFMBDRBRZALE-NZLXMSDQSA-N

InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)/i5D2,6D2
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西布特罗-D9
- ≥98 atom% D,≥98%
CAS号 : 1246819-04-4 Compound CID : 71312591

分子式: C₁₃H₁₀D₉N₃O 分子量: 242.36

IUPAC Name: 2-amino-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzonitrile

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

InChIKey: YKKQAXQGZIBJFS-GQALSZNTSA-N

InChI: InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3/i1D3,2D3,3D3
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班布特罗盐酸盐-d9
- ≥98 atom% D,≥98%
CAS号 : 1794810-59-5 Compound CID : 71313617

分子式: C18H21D9ClN3O5 分子量: 412.96

IUPAC Name: [3-(dimethylcarbamoyloxy)-5-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]phenyl] N,N-dimethylcarbamate;hydrochloride

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

InChIKey: LBARATORRVNNQM-KYRNGWDOSA-N

InChI: InChI=1S/C18H29N3O5.ClH/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;1H/i1D3,2D3,3D3;
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ML 179,肝受体同源物1（LRH1）反向激动剂
- ≥98 atom% D,≥98%
CAS号 : 1883548-87-5 Compound CID : 75089674

分子式: C₂₁H₂₅F₃N₄O₂ 分子量: 422.44

IUPAC Name: 3-cyclohexyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-diazinane-2,4-dione

SMILES: C1CCC(CC1)N2C(=O)CC(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChIKey: KTWKLBPBUXCXRG-UHFFFAOYSA-N

InChI: InChI=1S/C21H27F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13,16,18H,1-3,6-7,9-12,14H2,(H,25,30)
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磷酸胆碱-d9氯化钙盐
- ≥98 atom% D,≥98%
CAS号 : 344299-43-0

分子式: C₅H₄D₉NO₄P・Ca・Cl 分子量: 266.72

IUPAC Name: calcium;2-[tris(trideuteriomethyl)azaniumyl]ethyl phosphate;chloride

SMILES: O=P([O-])([O-])OCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Ca+2].[Cl-]

InChIKey: ICVPTJCCKTXCDT-VIVYLVLJSA-L

InChI: InChI=1S/C5H14NO4P.Ca.ClH/c1-6(2,3)4-5-10-11(7,8)9;;/h4-5H2,1-3H3,(H-,7,8,9);;1H/q;+2;/p-2/i1D3,2D3,3D3;;
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奥司他韦-d3酸
- ≥98 atom% D,≥98%
CAS号 : 1242184-43-5 Compound CID : 71434284

分子式: C₁₄H₂₁D₃N₂O₄ 分子量: 287.37

IUPAC Name: 5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid

SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O

InChIKey: NENPYTRHICXVCS-HPRDVNIFSA-N

InChI: InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/i3D3
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N-亚硝基二乙胺-d4
- ≥98 atom% D,≥98%
CAS号 : 1346603-41-5 Compound CID : 126456058

分子式: C₄H₆D₄N₂O 分子量: 106.16

IUPAC Name: N-ethyl-N-(1,1,2,2-tetradeuterioethyl)nitrous amide

SMILES: CCN(CC)N=O

InChIKey: WBNQDOYYEUMPFS-VEPVEJTGSA-N

InChI: InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3/i1D2,3D2
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盐酸二甲双胍-d6
- ≥98 atom% D,≥98%
CAS号 : 1185166-01-1 Compound CID : 45039707

分子式: C₄H₆D₆ClN₅ 分子量: 171.66

IUPAC Name: 3-(diaminomethylidene)-1,1-bis(trideuteriomethyl)guanidine;hydrochloride

SMILES: CN(C)C(=N)N=C(N)N.Cl

InChIKey: OETHQSJEHLVLGH-TXHXQZCNSA-N

InChI: InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H/i1D3,2D3;
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