按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥99 atom% 13C,≥99 atom% 15N,≥98%, ≥92%,≥95 atom% D, ≥98%(N)

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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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丙酸氟替卡松-d5
- ≥92%,≥95 atom% D
CAS号 : 1093258-28-6 Compound CID : 91820603

分子式: C₂₅H₂₆F₃O₅SD₅ 分子量: 505.61

IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,3-pentadeuteriopropanoate

SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF

InChIKey: WMWTYOKRWGGJOA-AMTWIDTLSA-N

InChI: InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1/i1D3,5D2
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L-丝氨酸-¹³C₃,¹⁵N
- ≥99 atom% 13C,≥99 atom% 15N,≥98%
CAS号 : 202407-34-9 Compound CID : 71310240

分子式: (¹³C)₃H₇(₁₅N)O₃ 分子量: 109.06

SMILES: [13CH2]([C@@H]([13C](=O)O)[15NH2])O
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L-天冬氨酸-¹³C₄,¹⁵N
- ≥99 atom% 13C,≥99 atom% 15N,≥98%
CAS号 : 202468-27-7 Compound CID : 16217560

分子式: HO₂13C13CH₂13CH(15NH₂)13CO₂H 分子量: 138.07

IUPAC Name: (2S)-2-(15N)azanyl(1,2,3,4-13C4)butanedioic acid

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

InChIKey: CKLJMWTZIZZHCS-NYTNKSBQSA-N

InChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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