按“信号通路”分类 - 小分子和化合物库

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N-去甲基氯氮平
- ≥98%
CAS号: 6104-71-8

分子式: C₁₇H₁₇ClN₄ 分子量: 312.8

IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N

InChI: 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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奥氮平
- ≥99%
CAS号: 132539-06-1

分子式: C₁₇H₂₀N₄S 分子量: 312.43

IUPAC Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

SMILES: CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C

InChIKey: KVWDHTXUZHCGIO-UHFFFAOYSA-N

InChI: 1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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奥昔布宁
- ≥98%
CAS号: 5633-20-5

分子式: C₂₂H₃₁NO₃ 分子量: 357.49

IUPAC Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

SMILES: CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

InChIKey: XIQVNETUBQGFHX-UHFFFAOYSA-N

InChI: 1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
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卢非酰胺
- ≥98%
CAS号: 106308-44-5 Compound CID : 129228

分子式: C₁₀H₈F₂N₄O 分子量: 238.19

IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazole-4-carboxamide

SMILES: C1=CC(=C(C(=C1)F)CN2C=C(N=N2)C(=O)N)F

InChIKey: POGQSBRIGCQNEG-UHFFFAOYSA-N

InChI: 1S/C10H8F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5H,4H2,(H2,13,17)
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精胺
- ≥98%
CAS号: 71-44-3 EC号: 200-754-2 Compound CID : 1103

分子式: C₁₀H₂₆N₄ 分子量: 202.34

IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine

SMILES: C(CCNCCCN)CNCCCN

InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N

InChI: 1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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精胺
- ≥98%(GC)
CAS号: 71-44-3 EC号: 200-754-2 Compound CID : 1103

分子式: C₁₀H₂₆N₄ 分子量: 202.34

IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamine

SMILES: C(CCNCCCN)CNCCCN

InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N

InChI: 1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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托吡酯
- ≥98%
CAS号: 97240-79-4 Compound CID : 5284627

分子式: C₁₂H₂₁NO₈S 分子量: 339.36

IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C

InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N

InChI: 1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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托吡卡胺
- ≥99%
CAS号: 1508-75-4 EC号: 216-140-2 Compound CID : 5593

分子式: C₁₇H₂₀N₂O₂ 分子量: 284.35

IUPAC Name: N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide

SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2

InChIKey: BGDKAVGWHJFAGW-UHFFFAOYSA-N

InChI: 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3
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三氯噻嗪
- ≥98%
CAS号: 133-67-5 EC号: 205-118-8 Compound CID : 5560

分子式: C₈H₈Cl₃N₃O₄S₂ 分子量: 380.66

IUPAC Name: 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl

InChIKey: LMJSLTNSBFUCMU-UHFFFAOYSA-N

InChI: 1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
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代他考昔
- ≥99%
CAS号: 181695-72-7 Compound CID : 119607

分子式: C₁₆H₁₄N₂O₃S 分子量: 314.36

IUPAC Name: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChIKey: LNPDTQAFDNKSHK-UHFFFAOYSA-N

InChI: 1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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阿托品
- ≥99%
CAS号: 51-55-8 EC号: 200-104-8

分子式: C₁₇H₂₃NO₃ 分子量: 289.37

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate

SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChIKey: RKUNBYITZUJHSG-PJPHBNEVSA-N

InChI: 1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
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布林佐胺
- ≥98%
CAS号: 138890-62-7 EC号: 620-511-8

分子式: C₁₂H₂₁N₃O₅S₃ 分子量: 383.51

IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N

InChI: 1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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