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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

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=C(C=C5OCOC5=C4)[C@H]2O[C@H]6O[C@H]7CO[C@H](C)O[C@@H]7[C@@H](OC(=O)C(Cl)Cl)[C@@H]6OC(=O)C(Cl)Cl

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 Sat Dec 16 14:22:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:22:52 GMT 2023
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 IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
134819933
Created by admin on Sat Dec 16 14:22:52 GMT 2023 , Edited by admin on Sat Dec 16 14:22:52 GMT 2023
PRIMARY
FDA UNII
U4TV66B9YG
Created by admin on Sat Dec 16 14:22:52 GMT 2023 , Edited by admin on Sat Dec 16 14:22:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY