EPIRUBICIN GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H37NO17
Molecular Weight	719.6434
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](N)[C@@H](O[C@]2([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](C)O1)O[C@H]3C[C@@](O)(CC4=C(O)C5=C(C(=O)C6=C(OC)C=CC=C6C5=O)C(O)=C34)C(=O)CO

InChI

InChIKey=PXOMSWXCVZBBIV-PQKSKRJKSA-N

InChI=1S/C33H37NO17/c1-10-29(50-32-28(43)26(41)27(42)30(51-32)31(44)45)13(34)6-17(48-10)49-15-8-33(46,16(36)9-35)7-12-19(15)25(40)21-20(23(12)38)22(37)11-4-3-5-14(47-2)18(11)24(21)39/h3-5,10,13,15,17,26-30,32,35,38,40-43,46H,6-9,34H2,1-2H3,(H,44,45)/t10-,13-,15-,17-,26-,27-,28+,29-,30-,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H37NO17
Molecular Weight	719.6434
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:22 GMT 2023` Edited by `admin` on `Sat Dec 16 16:11:22 GMT 2023`
Record UNII	J8G768TP3D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPIRUBICIN GLUCURONIDE

Common Name

English

5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S-CIS)-

Systematic Name

English

(8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-5,12-NAPHTHACENEDIONE

Systematic Name

English

4'-O-.BETA.-D-GLUCURONYL-4'-EPIRUBICIN

Common Name

English

5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-L-ARABINO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-, (8S,10S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

J8G768TP3D

Created by admin on Sat Dec 16 16:11:22 GMT 2023 , Edited by admin on Sat Dec 16 16:11:22 GMT 2023

PRIMARY

CAS

92137-84-3

Created by admin on Sat Dec 16 16:11:22 GMT 2023 , Edited by admin on Sat Dec 16 16:11:22 GMT 2023

PRIMARY

PUBCHEM

156028101

Created by admin on Sat Dec 16 16:11:22 GMT 2023 , Edited by admin on Sat Dec 16 16:11:22 GMT 2023

PRIMARY

Related Record Type Details


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EPIRUBICIN

PARENT -> METABOLITE

Comments:

The mean metabolite/parent AUC ratio is about 20% for epirubicin glucuronide

Interaction Type:

MAJOR

Qualification:

PLASMA