DOXORUBICINONE VALERATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H26O10
Molecular Weight	498.4786
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O)C2=C(C1)C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O

InChI

InChIKey=IVNIGSFXMGPCOA-RXBISOJRSA-N

InChI=1S/C26H26O10/c1-3-4-8-17(29)36-11-16(28)26(34)9-13-18(14(27)10-26)24(32)21-20(23(13)31)22(30)12-6-5-7-15(35-2)19(12)25(21)33/h5-7,14,27,31-32,34H,3-4,8-11H2,1-2H3/t14-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H26O10
Molecular Weight	498.4786
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:18:07 GMT 2025` Edited by `admin` on `Mon Mar 31 23:18:07 GMT 2025`
Record UNII	V3K9Q878X1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VALRUBICIN IMPURITY, DOXORUBICINONE VALERATE [USP IMPURITY]

Preferred Name

English

DOXORUBICINONE VALERATE

Common Name

English

2-OXO-2-((2S,4S)-2,4,5,12-TETRAHYDROXY-7-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-2-YL)ETHYL PENTANOATE

Systematic Name

English

PENTANOIC ACID, 2-(1,2,3,4,6,11-HEXAHYDRO-2,4,5,12-TETRAHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-OXOETHYL ESTER, (2S-CIS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

72941707

Created by admin on Mon Mar 31 23:18:07 GMT 2025 , Edited by admin on Mon Mar 31 23:18:07 GMT 2025

PRIMARY

CAS

158699-93-5

Created by admin on Mon Mar 31 23:18:07 GMT 2025 , Edited by admin on Mon Mar 31 23:18:07 GMT 2025

PRIMARY

FDA UNII

V3K9Q878X1

Created by admin on Mon Mar 31 23:18:07 GMT 2025 , Edited by admin on Mon Mar 31 23:18:07 GMT 2025

PRIMARY

Related Record Type Details


					2C6NUM6878

VALRUBICIN

PARENT -> IMPURITY