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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H79FN10O17
Molecular Weight 1375.4529
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DBCO-PEG4-GGFG-Exatecan

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N8CC9=CC=CC=C9C#CC%10=C8C=CC=C%10)C4=C56)C2=O

InChI

InChIKey=UCUZJQMJKLKGGT-OHZCADGZSA-N
InChI=1S/C72H79FN10O17/c1-3-72(94)52-34-58-68-50(40-83(58)70(92)51(52)41-100-71(72)93)67-54(20-19-49-44(2)53(73)35-55(81-68)66(49)67)79-64(89)42-99-43-78-62(87)37-77-69(91)56(33-45-11-5-4-6-12-45)80-63(88)38-76-61(86)36-75-60(85)23-25-95-27-29-97-31-32-98-30-28-96-26-24-74-59(84)21-22-65(90)82-39-48-15-8-7-13-46(48)17-18-47-14-9-10-16-57(47)82/h4-16,34-35,54,56,94H,3,19-33,36-43H2,1-2H3,(H,74,84)(H,75,85)(H,76,86)(H,77,91)(H,78,87)(H,79,89)(H,80,88)/t54-,56-,72-/m0/s1

HIDE SMILES / InChI

Molecular Formula C72H79FN10O17
Molecular Weight 1375.4529
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:17:56 GMT 2025
Edited
by admin
on Wed Apr 02 19:17:56 GMT 2025
Record UNII
7L3XY83XWU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DBCO-PEG4-GGFG-Exatecan
Common Name English
LND-1088
Preferred Name English
DBCO-PEG4-GGFG-Exatecan (Repodatecan starting material)
Common Name English
DBCO-PEG4-GGFG-Dxd
Common Name English
Code System Code Type Description
FDA UNII
7L3XY83XWU
Created by admin on Wed Apr 02 19:17:56 GMT 2025 , Edited by admin on Wed Apr 02 19:17:56 GMT 2025
PRIMARY
CAS
2694856-51-2
Created by admin on Wed Apr 02 19:17:56 GMT 2025 , Edited by admin on Wed Apr 02 19:17:56 GMT 2025
PRIMARY
PUBCHEM
162642643
Created by admin on Wed Apr 02 19:17:56 GMT 2025 , Edited by admin on Wed Apr 02 19:17:56 GMT 2025
PRIMARY