7-DEOXYDOXORUBICINOLONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O8
Molecular Weight	400.3787
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C(=O)C3=C(O)C4=C(C[C@](O)(CC4)[C@@H](O)CO)C(O)=C3C(=O)C2=CC=C1

InChI

InChIKey=IGJIPNOEJDYNRR-YEJXKQKISA-N

InChI=1S/C21H20O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,13,22-24,26,28H,5-8H2,1H3/t13-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O8
Molecular Weight	400.3787
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 `Wed Apr 02 07:37:12 GMT 2025` Edited by `admin` on `Wed Apr 02 07:37:12 GMT 2025`
Record UNII	68V3NJ6MPZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-DEOXYDOXORUBICINOLONE

Common Name

English

7-DEOXYDOXORUBICINOL AGLYCONE

Preferred Name

English

7-DEOXYEPIRUBICINOL AGLYCONE

Common Name

English

ADRIAMYCINOL 7-DEOXYAGLYCONE

Common Name

English

DEOXYADRIAMYCINOL AGLYCONE

Common Name

English

5,12-NAPHTHACENEDIONE, 8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-, (8R)-

Systematic Name

English

(8R)-8-((1S)-1,2-DIHYDROXYETHYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00191260

Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025

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FDA UNII

68V3NJ6MPZ

Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025

PRIMARY

CAS

37818-13-6

Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025

PRIMARY

PUBCHEM

161952

Created by admin on Wed Apr 02 07:37:12 GMT 2025 , Edited by admin on Wed Apr 02 07:37:12 GMT 2025

PRIMARY

Related Record Type Details


					3Z8479ZZ5X

EPIRUBICIN

PARENT -> METABOLITE

Comments:

The mean metabolite/parent AUC ratio is about 4% 7-deoxydoxorubicinol aglycone