小分子和化合物库

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显示第112个,产品总数210

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  1. 对乙酰氨基苯酚
      规格或纯度 :
    • AR
    • ≥99%
    CAS号 : 103-90-2        Compound CID : 1983
    分子式: C8H9NO2        分子量: 151.16
    IUPAC Name: N-(4-hydroxyphenyl)acetamide
    SMILES: CC(=O)NC1=CC=C(C=C1)O
    InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N
    InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
  2. 米非司酮
    CAS号 : 84371-65-3        Compound CID : 55245
    分子式: C29H35NO2        分子量: 429.59
    IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    SMILES: CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
    InChIKey: VKHAHZOOUSRJNA-GCNJZUOMSA-N
    InChI: InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
  3. SC-560,COX-1抑制剂
    CAS号 : 188817-13-2        Compound CID : 4306515
    分子式: C17H12ON2ClF3        分子量: 352.74
    IUPAC Name: 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
    SMILES: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl
    InChIKey: PQUGCKBLVKJMNT-UHFFFAOYSA-N
    InChI: InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
  4. 地塞米松
      规格或纯度 :
    • ≥98%
    CAS号 : 50-02-2        Compound CID : 5743
    分子式: C22H29FO5        分子量: 392.46
    IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
    InChIKey: UREBDLICKHMUKA-CXSFZGCWSA-N
    InChI: InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
  5. 乙酰水杨酸(ASA)
    CAS号 : 50-78-2        Compound CID : 2244
    分子式: C9H8O4        分子量: 180.16
    IUPAC Name: 2-acetyloxybenzoic acid
    SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
    InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
  6. 炔孕酮
      规格或纯度 :
    • ≥98%
    CAS号 : 434-03-7        Compound CID : 5284557
    分子式: C21H28O2        分子量: 312.45
    IUPAC Name: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C
    InChIKey: CHNXZKVNWQUJIB-CEGNMAFCSA-N
    InChI: InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
  7. 利克飞龙
      规格或纯度 :
    • ≥98%
    CAS号 : 156897-06-2        Compound CID : 133021
    分子式: C23H22ClNO2        分子量: 379.88
    IUPAC Name: 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
    SMILES: CC1(CC2=C(C(=C(N2C1)CC(=O)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
    InChIKey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
  8. 4-联苯基乙酸
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 5728-52-9        Compound CID : 3332
    分子式: C14H12O2        分子量: 212.25
    IUPAC Name: 2-(4-phenylphenyl)acetic acid
    SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
    InChIKey: QRZAKQDHEVVFRX-UHFFFAOYSA-N
    InChI: InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
  9. 氯地孕酮醋酸盐
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 302-22-7        Compound CID : 9324
    分子式: C23H29ClO4        分子量: 404.93
    IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)OC(=O)C
    InChIKey: QMBJSIBWORFWQT-DFXBJWIESA-N
    InChI: InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1
  10. 糠酸莫米他松
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 83919-23-7        Compound CID : 441336
    分子式: C27H30Cl2O6        分子量: 521.43
    IUPAC Name: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
    SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
    InChIKey: WOFMFGQZHJDGCX-ZULDAHANSA-N
    InChI: InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1
  11. 哈西奈德
      规格或纯度 :
    • ≥98%
    CAS号 : 3093-35-4        Compound CID : 443943
    分子式: C24H32ClFO5        分子量: 454.96
    IUPAC Name: (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
    SMILES: CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
    InChIKey: MUQNGPZZQDCDFT-JNQJZLCISA-N
    InChI: InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1
  12. 甲羟孕酮
    CAS号 : 520-85-4        Compound CID : 10631
    分子式: C22H32O3        分子量: 344.5
    IUPAC Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C
    InChIKey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
    InChI: InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
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