IMETELSTAT

Details

Stereochemistry	MIXED
Molecular Formula	C148H211N68O53P13S13
Molecular Weight	4610.187
Optical Activity	UNSPECIFIED
Defined Stereocenters	39 / 40
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCCCCC(=O)NCC(O)COP(S)(=O)OC[C@H]1O[C@H](C[C@@H]1NP(S)(=O)OC[C@H]2O[C@H](C[C@@H]2NP(S)(=O)OC[C@H]3O[C@H](C[C@@H]3NP(S)(=O)OC[C@H]4O[C@H](C[C@@H]4NP(S)(=O)OC[C@H]5O[C@H](C[C@@H]5NP(S)(=O)OC[C@H]6O[C@H](C[C@@H]6NP(S)(=O)OC[C@H]7O[C@H](C[C@@H]7NP(S)(=O)OC[C@H]8O[C@H](C[C@@H]8NP(S)(=O)OC[C@H]9O[C@H](C[C@@H]9NP(S)(=O)OC[C@H]%10O[C@H](C[C@@H]%10NP(S)(=O)OC[C@H]%11O[C@H](C[C@@H]%11NP(S)(=O)OC[C@H]%12O[C@H](C[C@@H]%12NP(S)(=O)OC[C@H]%13O[C@H](C[C@@H]%13N)N%14C=NC%15=C%14N=CN=C%15N)N%16C=NC%17=C%16N=CN=C%17N)N%18C=CC(N)=NC%18=O)N%19C=NC%20=C%19N=CN=C%20N)N%21C=NC%22=C%21N=C(N)NC%22=O)N%23C=NC%24=C%23N=CN=C%24N)N%25C=C(C)C(=O)NC%25=O)N%26C=C(C)C(=O)NC%26=O)N%27C=NC%28=C%27N=C(N)NC%28=O)N%29C=NC%30=C%29N=C(N)NC%30=O)N%31C=NC%32=C%31N=C(N)NC%32=O)N%33C=NC%34=C%33N=CN=C%34N)N%35C=C(C)C(=O)NC%35=O

InChI

InChIKey=LVZYXEALRXBLJZ-ISQYCPACSA-N

InChI=1S/C148H211N68O53P13S13/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-97(218)160-34-69(217)38-255-282(242,295)256-51-95-74(25-102(261-95)207-37-68(4)136(221)191-148(207)229)195-274(234,287)249-45-89-78(29-106(264-89)212-61-175-115-124(155)165-56-170-129(115)212)199-277(237,290)252-48-92-81(32-109(267-92)215-64-178-118-132(215)183-143(158)187-139(118)224)202-280(240,293)254-50-94-82(33-110(269-94)216-65-179-119-133(216)184-144(159)188-140(119)225)203-281(241,294)253-49-93-79(30-107(268-93)213-62-176-116-130(213)181-141(156)185-137(116)222)200-278(238,291)246-42-86-72(23-100(260-86)205-35-66(2)134(219)189-146(205)227)193-272(232,285)245-41-85-73(24-101(259-85)206-36-67(3)135(220)190-147(206)228)194-273(233,286)248-44-88-77(28-105(263-88)211-60-174-114-123(154)164-55-169-128(114)211)198-276(236,289)251-47-91-80(31-108(266-91)214-63-177-117-131(214)182-142(157)186-138(117)223)201-279(239,292)250-46-90-76(27-104(265-90)210-59-173-113-122(153)163-54-168-127(113)210)197-275(235,288)244-40-84-71(22-99(258-84)204-20-19-96(150)180-145(204)226)192-271(231,284)247-43-87-75(26-103(262-87)209-58-172-112-121(152)162-53-167-126(112)209)196-270(230,283)243-39-83-70(149)21-98(257-83)208-57-171-111-120(151)161-52-166-125(111)208/h19-20,35-37,52-65,69-95,98-110,217H,5-18,21-34,38-51,149H2,1-4H3,(H,160,218)(H,242,295)(H2,150,180,226)(H2,151,161,166)(H2,152,162,167)(H2,153,163,168)(H2,154,164,169)(H2,155,165,170)(H,189,219,227)(H,190,220,228)(H,191,221,229)(H2,192,231,284)(H2,193,232,285)(H2,194,233,286)(H2,195,234,287)(H2,196,230,283)(H2,197,235,288)(H2,198,236,289)(H2,199,237,290)(H2,200,238,291)(H2,201,239,292)(H2,202,240,293)(H2,203,241,294)(H3,156,181,185,222)(H3,157,182,186,223)(H3,158,183,187,224)(H3,159,184,188,225)/t69?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,270?,271?,272?,273?,274?,275?,276?,277?,278?,279?,280?,281?,282?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

GRN163L

Preferred Name

English

IMETELSTAT

Official Name

English

DNA, D(3'-AMINO-3'-DEOXY-P-THIO)(T-A-G-G-G-T-T-A-G-A-C-A-A), 5'-(O-(2-HYDROXY-3-((1-OXOHEXADECYL)AMINO)PROPYL) HYDROGEN PHOSPHOROTHIOATE)

Common Name

English

imetelstat [INN]

Common Name

English

5'-(O-(2-HYDROXY-3-((1-OXOHEXADECYL)AMINO)PROPYL) HYDROGEN PHOSPHOROTHIOATE)-D(3'-AMINO-3'-DEOXY-P-THIO)(T-A-G-G-G-T-T-A-G-A-C-A-A)

Common Name

English

IMETELSTAT [USAN]

Common Name

English

GRN-163L

Code

English

Imetelstat [WHO-DD]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

501415