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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O16S
Molecular Weight 670.6379
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOPOSIDE SULFATE CONJUGATE

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)OS(O)(O)O)OC)[C@]7([H])[C@]3([H])COC7=O)OCO5)O)O)O1

InChI

InChIKey=YNDLRGPKXYMKRK-OCBXBXKTSA-N
InChI=1S/C29H34O16S/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31,33-35H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H34O16S
Molecular Weight 670.6379
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 20:32:07 UTC 2021
Edited
by admin
on Fri Jun 25 20:32:07 UTC 2021
Record UNII
97TTC6H2Z2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOPOSIDE SULFATE CONJUGATE
Common Name English
(5S,5AR,8AR,9R)-5-(((2R,4AR,6R,7R,8R,8AS)-7,8-DIHYDROXY-2-METHYL-4,4A,6,7,8,8A-HEXAHYDROPYRANO(3,2-D)(1,3)DIOXIN-6-YL)OXY)-9-(4-(HYDROXY(DIOXIDO)-$L^4-SULFANYL)OXY-3,5-DIMETHOXY-PHENYL)-5A,6,8A,9-TETRAHYDRO-5H-ISOBENZOFURO(6,5-F)(1,3)BENZODIOXOL-8-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
97TTC6H2Z2
Created by admin on Fri Jun 25 20:32:07 UTC 2021 , Edited by admin on Fri Jun 25 20:32:07 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Drug is mediated by Sulfotransferase. Approx 35-45% of drug is eliminated via kidneys. Organoplatinumn anticancer agents (e.g., cisplatin) decrease etoposide clearance, esp. in children.
URINE