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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 of DOXORUBICINONE VALERATE

SMILES

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O)C2=C(O)C3=C(C(=O)C4=CC=CC(OC)=C4C3=O)C(O)=C2C1

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 Sat Dec 16 10:31:21 GMT 2023
Edited
by admin
on Sat Dec 16 10:31:21 GMT 2023
Record UNII
V3K9Q878X1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
VALRUBICIN IMPURITY, DOXORUBICINONE VALERATE [USP IMPURITY]
Common 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 Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
CAS
158699-93-5
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
FDA UNII
V3K9Q878X1
Created by admin on Sat Dec 16 10:31:21 GMT 2023 , Edited by admin on Sat Dec 16 10:31:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP