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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H40O19
Molecular Weight 764.6821
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOPOSIDE GLUCURONIDE

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)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O7)O)O)O)OC)[C@]8([H])[C@]3([H])COC8=O)OCO5)O)O)O1

InChI

InChIKey=URCVASXWNJQAEH-HDWVWLDDSA-N
InChI=1S/C35H40O19/c1-11-46-9-20-30(50-11)25(38)27(40)34(51-20)52-28-14-7-17-16(48-10-49-17)6-13(14)21(22-15(28)8-47-33(22)43)12-4-18(44-2)29(19(5-12)45-3)53-35-26(39)23(36)24(37)31(54-35)32(41)42/h4-7,11,15,20-28,30-31,34-40H,8-10H2,1-3H3,(H,41,42)/t11-,15+,20-,21-,22+,23+,24+,25-,26-,27-,28-,30-,31+,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H40O19
Molecular Weight 764.6821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:13:25 UTC 2021
Edited
by admin
on Sat Jun 26 02:13:25 UTC 2021
Record UNII
F65IJO84A1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOPOSIDE GLUCURONIDE
Common Name English
ETOPOSIDE 4'-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((5R,5AR,8AR,9S)-9-((4,6-O-(1R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,5A,6,8,8A,9-HEXAHYDRO-6-OXOFURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-5-YL)-2,6-DIMETHOXYPHENYL
Systematic Name English
Code System Code Type Description
FDA UNII
F65IJO84A1
Created by admin on Sat Jun 26 02:13:25 UTC 2021 , Edited by admin on Sat Jun 26 02:13:25 UTC 2021
PRIMARY
PUBCHEM
46173784
Created by admin on Sat Jun 26 02:13:25 UTC 2021 , Edited by admin on Sat Jun 26 02:13:25 UTC 2021
PRIMARY
CAS
100007-55-4
Created by admin on Sat Jun 26 02:13:25 UTC 2021 , Edited by admin on Sat Jun 26 02:13:25 UTC 2021
PRIMARY
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