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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H32Cl4O15
Molecular Weight 810.4112
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

C[C@@]1([H])OC[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O2)O[C@]3([H])c4cc5c(cc4[C@@]([H])(c6cc(c(c(c6)OC)O)OC)[C@]7([H])[C@]3([H])COC7=O)OCO5)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)O1

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 810.4112
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 Fri Jun 25 22:57:38 UTC 2021
Edited
by admin
on Fri Jun 25 22:57:38 UTC 2021
Record UNII
U4TV66B9YG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(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
ETOPOSIDE IMPURITY O [EP]
Common Name English
Code System Code Type Description
PUBCHEM
134819933
Created by admin on Fri Jun 25 22:57:38 UTC 2021 , Edited by admin on Fri Jun 25 22:57:38 UTC 2021
PRIMARY
FDA UNII
U4TV66B9YG
Created by admin on Fri Jun 25 22:57:38 UTC 2021 , Edited by admin on Fri Jun 25 22:57:38 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY