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Product Overview

Product Code

TRC-K003000

Product Format

Neat

Molecular Formula

C162H276N48O46 . C2HF3O2

Molecular Weight

3746.24

Product Categories

Additional Neuro Products, TRC

Alternate CAS Number

434938-41-7

Documentation

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Product Information

Chemical Data

Analyte Name

K-41498 TFA Salt

Molecular Formula

C162H276N48O46 . C2HF3O2

Molecular Weight

3746.24

Accurate Mass

3746.21

SMILES

[H]N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@H](C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@@H]([C@H](O)C)C(N[C@H](C(N)=O)[C@@H](C)CC)=O)=O)CC(O)=O)=O)=O)=O)=O)=O)=O)C)=O)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@@H](C)CC)=O)=O)[C@@H](C)CC)=O)CCCC)=O)=O)=O)=O)=O)CC1=CN=CN1)=O)CC2=CC=CC=C2.O=C(O)C(F)(F)F

InChI

InChI=1S/C158H270N46O44.C2HF3O2/c1-21-25-41-93(179-133(225)94(42-29-33-62-159)180-137(229)98(46-37-66-174-157(169)170)184-146(238)107(68-79(5)6)196-149(241)110(71-82(11)12)199-151(243)112(74-91-77-173-78-176-91)194-131(223)92(163)73-90-39-27-26-28-40-90)144(236)202-125(85(16)23-3)155(247)192-106(54-61-122(216)217)145(237)203-126(86(17)24-4)154(246)191-105(53-60-121(214)215)143(235)183-96(44-31-35-64-161)135(227)188-102(50-57-117(166)208)140(232)190-104(52-59-120(212)213)142(234)182-97(45-32-36-65-162)136(228)189-103(51-58-119(210)211)141(233)181-95(43-30-34-63-160)134(226)187-101(49-56-116(165)207)139(231)186-100(48-55-115(164)206)132(224)178-87(18)129(221)177-88(19)130(222)193-113(75-118(167)209)152(244)185-99(47-38-67-175-158(171)172)138(230)195-108(69-80(7)8)147(239)197-109(70-81(9)10)148(240)198-111(72-83(13)14)150(242)200-114(76-123(218)219)153(245)204-127(89(20)205)156(248)201-124(128(168)220)84(15)22-2;3-2(4,5)1(6)7/h26-28,39-40,77-89,92-114,124-127,205H,21-25,29-38,41-76,159-163H2,1-20H3,(H2,164,206)(H2,165,207)(H2,166,208)(H2,167,209)(H2,168,220)(H,173,176)(H,177,221)(H,178,224)(H,179,225)(H,180,229)(H,181,233)(H,182,234)(H,183,235)(H,184,238)(H,185,244)(H,186,231)(H,187,226)(H,188,227)(H,189,228)(H,190,232)(H,191,246)(H,192,247)(H,193,222)(H,194,223)(H,195,230)(H,196,241)(H,197,239)(H,198,240)(H,199,243)(H,200,242)(H,201,248)(H,202,236)(H,203,237)(H,204,245)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H4,169,170,174)(H4,171,172,175);(H,6,7)/t84-,85-,86-,87-,88-,89+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,124-,125-,126-,127-;/m0./s1/i/hD

Alternate CAS Number

434938-41-7

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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