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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O16S
Molecular Weight 670.636
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOPOSIDE SULFATE CONJUGATE

SMILES

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

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 670.636
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 13:39:53 GMT 2023
Edited
by admin
on Sat Dec 16 13:39:53 GMT 2023
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
PUBCHEM
155928785
Created by admin on Sat Dec 16 13:39:53 GMT 2023 , Edited by admin on Sat Dec 16 13:39:53 GMT 2023
PRIMARY
FDA UNII
97TTC6H2Z2
Created by admin on Sat Dec 16 13:39:53 GMT 2023 , Edited by admin on Sat Dec 16 13:39:53 GMT 2023
PRIMARY
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