ETOPOSIDE SULFATE CONJUGATE

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

Structure Search

SMILES

COC1=CC(=CC(OC)=C1OS(O)(O)O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](O[C@@H]4O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]4O)C6=CC7=C(OCO7)C=C26

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 `Tue Apr 01 21:04:23 GMT 2025` Edited by `admin` on `Tue Apr 01 21:04:23 GMT 2025`
Record UNII	97TTC6H2Z2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(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

Preferred Name

English

ETOPOSIDE SULFATE CONJUGATE

Common Name

English

Code System Code Type Description

PUBCHEM

155928785

Created by admin on Tue Apr 01 21:04:23 GMT 2025 , Edited by admin on Tue Apr 01 21:04:23 GMT 2025

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FDA UNII

97TTC6H2Z2

Created by admin on Tue Apr 01 21:04:23 GMT 2025 , Edited by admin on Tue Apr 01 21:04:23 GMT 2025

PRIMARY

Related Record Type Details


					6PLQ3CP4P3

ETOPOSIDE

PARENT -> METABOLITE

Qualification:

URINE

Amount: