GalNac-L96

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C121H179N11O45.C6H15N
Molecular Weight	2608.9527
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CC.COC1=CC=C(C=C1)C(OC[C@@H]2C[C@H](CN2C(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4NC(C)=O)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5NC(C)=O)OC(=O)CCC(O)=O)(C6=CC=CC=C6)C7=CC=C(OC)C=C7

InChI

InChIKey=IJXFTQRCIYIYHZ-MCDRDKEWSA-N

InChI=1S/C121H179N11O45.C6H15N/c1-76(133)128-108-114(171-85(10)142)111(168-82(7)139)95(70-164-79(4)136)175-117(108)161-61-29-26-37-98(145)122-55-32-58-125-101(148)52-64-158-73-120(74-159-65-53-102(149)126-59-33-56-123-99(146)38-27-30-62-162-118-109(129-77(2)134)115(172-86(11)143)112(169-83(8)140)96(176-118)71-165-80(5)137,75-160-66-54-103(150)127-60-34-57-124-100(147)39-28-31-63-163-119-110(130-78(3)135)116(173-87(12)144)113(170-84(9)141)97(177-119)72-166-81(6)138)131-104(151)40-24-19-17-15-16-18-20-25-41-105(152)132-68-94(174-107(155)51-50-106(153)154)67-91(132)69-167-121(88-35-22-21-23-36-88,89-42-46-92(156-13)47-43-89)90-44-48-93(157-14)49-45-90;1-4-7(5-2)6-3/h21-23,35-36,42-49,91,94-97,108-119H,15-20,24-34,37-41,50-75H2,1-14H3,(H,122,145)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,133)(H,129,134)(H,130,135)(H,131,151)(H,153,154);4-6H2,1-3H3/t91-,94+,95+,96+,97+,108+,109+,110+,111-,112-,113-,114+,115+,116+,117+,118+,119+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

GalNac-L96

Common Name

English

GalNac-L96 triethylamine salt

Preferred Name

English

Butanedioic acid, 1-[(3R,5S)-5-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-1-[1,12,19,25-tetraoxo-14,14-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-?-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-29-[[3,4,6-

Systematic Name

English

Triethylamine 4-(((3R,5S)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-1-(1-(((2R,3R,4R,5R,6R)-4,5-diacetoxy-6-(acetoxymethyl)-3-((1-oxidoethylidene)amino)tetrahydro-2H-pyran-2-yl)oxy)-16,16-bis((3-((3-((5-(((2R,3R,4R,5R,6R)-4,5-diacetoxy-6-(acetoxyme

Systematic Name

English

Code System Code Type Description

CAS

1159408-62-4

Created by admin on Wed Apr 02 20:21:52 GMT 2025 , Edited by admin on Wed Apr 02 20:21:52 GMT 2025

PRIMARY

FDA UNII

838RS78KPQ

Created by admin on Wed Apr 02 20:21:52 GMT 2025 , Edited by admin on Wed Apr 02 20:21:52 GMT 2025

PRIMARY

PUBCHEM

168006875

Created by admin on Wed Apr 02 20:21:52 GMT 2025 , Edited by admin on Wed Apr 02 20:21:52 GMT 2025

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SUBSTANCE RECORD


					838RS78KPQ

GalNac-L96