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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H32Cl4O15
Molecular Weight 810.41
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5R,5AR,8AR,9S)-9-((2,3-BIS-O-(DICHLOROACETYL)-4,6-O-((1S)-ETHANE-1,1-DIYL)-.BETA.-L-GLUCOPYRANOSYL)OXY)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE

SMILES

COC1=CC(=CC(OC)=C1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@H]4O[C@H]5CO[C@H](C)O[C@@H]5[C@@H](OC(=O)C(Cl)Cl)[C@@H]4OC(=O)C(Cl)Cl)C6=C2C=C7OCOC7=C6

InChI

InChIKey=ZDOAXGYNZJIUPI-ZRHJGEAOSA-N
InChI=1S/C33H32Cl4O15/c1-11-44-9-20-25(48-11)26(50-31(40)28(34)35)27(51-32(41)29(36)37)33(49-20)52-24-14-7-17-16(46-10-47-17)6-13(14)21(22-15(24)8-45-30(22)39)12-4-18(42-2)23(38)19(5-12)43-3/h4-7,11,15,20-22,24-29,33,38H,8-10H2,1-3H3/t11-,15-,20-,21+,22-,24+,25-,26+,27-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H32Cl4O15
Molecular Weight 810.41
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:21:36 GMT 2025
Edited
by admin
on Tue Apr 01 23:21:36 GMT 2025
Record UNII
U4TV66B9YG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOPOSIDE IMPURITY O [EP IMPURITY]
Preferred Name English
(5R,5AR,8AR,9S)-9-((2,3-BIS-O-(DICHLOROACETYL)-4,6-O-((1S)-ETHANE-1,1-DIYL)-.BETA.-L-GLUCOPYRANOSYL)OXY)-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDRO(2)BENZOFURO(5,6-F)(1,3)BENZODIOXOL-6(5AH)-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
134819933
Created by admin on Tue Apr 01 23:21:36 GMT 2025 , Edited by admin on Tue Apr 01 23:21:36 GMT 2025
PRIMARY
FDA UNII
U4TV66B9YG
Created by admin on Tue Apr 01 23:21:36 GMT 2025 , Edited by admin on Tue Apr 01 23:21:36 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY