EPIRUBICINOL GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H39NO17
Molecular Weight	721.6593
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]5C[C@H](N)[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@H](C)O5)[C@@H](O)CO)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=RNWJVHMQGJRPRU-NMGQKHMTSA-N

InChI=1S/C33H39NO17/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/h3-5,10,13,15-17,26-30,32,35-36,38,40-43,46H,6-9,34H2,1-2H3,(H,44,45)/t10-,13-,15-,16-,17-,26-,27-,28+,29-,30-,32+,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H39NO17
Molecular Weight	721.6593
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:15:24 GMT 2025` Edited by `admin` on `Wed Apr 02 07:15:24 GMT 2025`
Record UNII	S79Z6XJ3KG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6R)-6-((2S,3R,4S,6R)-4-AMINO-6-(((1S,3S)-3-((1S)-1,2-DIHYDROXYETHYL)-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL)OXY)-2-METHYL-TETRAHYDROPYRAN-3-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Preferred Name

English

EPIRUBICINOL GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

156596629

Created by admin on Wed Apr 02 07:15:24 GMT 2025 , Edited by admin on Wed Apr 02 07:15:24 GMT 2025

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FDA UNII

S79Z6XJ3KG

Created by admin on Wed Apr 02 07:15:24 GMT 2025 , Edited by admin on Wed Apr 02 07:15:24 GMT 2025

PRIMARY

Related Record Type Details


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EPIRUBICIN

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Comments:

The mean metabolite/parent AUC ratio is about 25% for epirubicinol glucuronide