ETOPOSIDE SULFATE CONJUGATE

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

Structure Search

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

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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


					6PLQ3CP4P3

ETOPOSIDE

PARENT -> METABOLITE

Comments:

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.

Qualification:

URINE