按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥99 atom% 13C, ≥75%, ≥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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吖啶橙
- ≥75%
CAS号 : 494-38-2 Compound CID : 62344

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine

SMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C

InChIKey: DPKHZNPWBDQZCN-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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5-磷酰核糖-1-焦磷酸钠盐
- ≥75%
CAS号 : 108321-05-7 Compound CID : 92043170

分子式: C₅H₈Na₅O₁₄P₃ 分子量: 499.98

IUPAC Name: tetrasodium;[[(3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]oxy-oxidophosphoryl] phosphate

SMILES: C(C1C(C(C(O1)OP(=O)([O-])OP(=O)([O-])[O-])O)O)OP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+]

InChIKey: QZAPPJHVNYCTAX-CKJQBBATSA-J

InChI: InChI=1S/C5H13O14P3.4Na/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13;;;;/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4/t2-,3-,4-,5?;;;;/m1..../s1
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D -葡萄糖-1-¹³C
- ≥99 atom% 13C
CAS号 : 40762-22-9 Compound CID : 12285878

分子式: 13CC₅H₁₂O₆ 分子量: 181.15

IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol

SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

InChIKey: WQZGKKKJIJFFOK-USBRANDWSA-N

InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
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乙氧基喹啉
- ≥75%
CAS号 : 91-53-2 Compound CID : 3293

分子式: C₁₄H₁₉NO 分子量: 217.31

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline

SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

InChI: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
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甘氨酸-2-13C
- ≥99 atom% 13C
CAS号 : 20220-62-6 Compound CID : 11105298

分子式: H₂N13CH₂CO₂H 分子量: 76.06

IUPAC Name: 2-aminoacetic acid

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

InChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-N

InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
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松香酸
- ≥75%
CAS号 : 514-10-3 Compound CID : 10569

分子式: C₂₀H₃₀O₂ 分子量: 302.45

IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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月桂烯
- ≥75%
CAS号 : 123-35-3 Compound CID : 31253

分子式: C₁₀H₁₆ 分子量: 136.23

IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene

SMILES: CC(=CCCC(=C)C=C)C

InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N

InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
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辅酶 A,三锂盐,水合物
- ≥75%
CAS号 : 18439-24-2 Compound CID : 16219106

分子式: C₂₁H₃₃N₇O₁₆P₃S • XLi [XH₂O] 分子量: 764.5（free basis）

IUPAC Name: trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

SMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O

InChIKey: QSCBPHBAFBVXRK-HJKJOZROSA-K

InChI: InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/t11-,14-,15-,16?,20-;;;/m1.../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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