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[CAS No.949100-39-4] A1042099 Delcasertib 97%

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目录号: A1042099

Cas No.: 949100-39-4

分子式: C₁₂₀H₁₉₉N₄₅O₃₄S₂

分子量: 2,880.28

MDL No:

EINECS:

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质量控制 [949100-39-4]

NMR

CNMR

HPLC

LC-MS

相关文件 [949100-39-4]

SDS

Specification

MOL

SDF

基础信息 [949100-39-4]

同义词:

外观:

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闪点:

存储要求: Store in 2-8°C for long term (months)

Pubchem ID:

Smiles: S(C[C@@H](C(N[C@@H](CC1C=CC(=CC=1)O)C(NCC(N[C@@H](CCCNC(=N)N)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CCCCN)=O)CCCCN)=O)=O)=O)=O)N)SC[C@@H](C(N[C@@H](CO)C(N[C@@H](CC1C=CC=CC=1)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N[C@@H](CC1C=CC(=CC=1)O)C(N[C@@H](CCC(=O)O)C(N[C@H](C(NCC(N[C@@H](CO)C(N[C@H](C(=O)O)CC(C)C)=O)=O)=O)CC(C)C)=O)=O)=O)=O)=O)=O)=O)N

Inchi: InChI=1S/C120H199N45O34S2/c1-61(2)48-80(96(179)145-55-92(174)148-86(56-166)110(193)163-85(114(198)199)49-62(3)4)159-106(189)78(37-39-93(175)176)156-107(190)83(52-65-30-34-67(170)35-31-65)161-112(195)88(58-168)165-109(192)84(53-90(126)172)162-108(191)82(50-63-18-6-5-7-19-63)160-111(194)87(57-167)164-95(178)69(124)60-201-200-59-68(123)94(177)158-81(51-64-28-32-66(169)33-29-64)97(180)146-54-91(173)147-70(22-12-42-139-115(127)128)98(181)149-71(20-8-10-40-121)99(182)150-72(21-9-11-41-122)100(183)151-73(23-13-43-140-116(129)130)101(184)152-75(25-15-45-142-118(133)134)103(186)155-77(36-38-89(125)171)105(188)154-74(24-14-44-141-117(131)132)102(185)153-76(26-16-46-143-119(135)136)104(187)157-79(113(196)197)27-17-47-144-120(137)138/h5-7,18-19,28-35,61-62,68-88,166-170H,8-17,20-27,36-60,121-124H2,1-4H3,(H2,125,171)(H2,126,172)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,181)(H,150,182)(H,151,183)(H,152,184)(H,153,185)(H,154,188)(H,155,186)(H,156,190)(H,157,187)(H,158,177)(H,159,189)(H,160,194)(H,161,195)(H,162,191)(H,163,193)(H,164,178)(H,165,192)(H,175,176)(H,196,197)(H,198,199)(H4,127,128,139)(H4,129,130,140)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)/t68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-/m0/s1

InchiKey: XPXZTVWPRKJTAA-PJKOMPQUSA-N

安全信息 [949100-39-4]

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