ALDOXORUBICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H42N4O13
Molecular Weight	750.7484
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C23)C(\CO)=N\NC(=O)CCCCCN6C(=O)C=CC6=O

InChI

InChIKey=OBMJQRLIQQTJLR-USGQOSEYSA-N

InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H42N4O13
Molecular Weight	750.7484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:02:06 UTC 2023` Edited by `admin` on `Sat Dec 16 02:02:06 UTC 2023`
Record UNII	C28MV4IM0B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALDOXORUBICIN

Official Name

English

N'-((1E)-1-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXOHEXOPYRANOSYL)OXY)-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACEN-2-YL(-2-HYDROXYETHYLIDENE)-6-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1-YL)HEXANOHYDRAZIDE

Common Name

English

Aldoxorubicin [WHO-DD]

Common Name

English

(6-MALEIMIDOCAPROYL)HYDRAZONE OF DOXORUBICIN

Common Name

English

aldoxorubicin [INN]

Common Name

English

1H-PYRROLE-1-HEXANOIC ACID, 2,5-DIHYDRO-2,5-DIOXO-, (1-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-HYDROXYETHYLIDENE)HYDRAZIDE

Common Name

English

1H-PYRROLE-1-HEXANOIC ACID, 2,5-DIHYDRO-2,5-DIOXO-, (1-(4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-HYDROXYETHYLIDENE)HYDRAZIDE, (2S-CIS)-

Common Name

English

DOXORUBICIN-EMCH

Common Name

English

ALDOXORUBICIN [USAN]

Common Name

English

INNO-206

Code

English

1H-PYRROLE-1-HEXANOIC ACID, 2,5-DIHYDRO-2,5-DIOXO-, (2E)-2-(1-((2S,4S)-4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-HYDROXYETHYLIDENE)HYDRAZIDE

Common Name

English

DOXO-EMCH

Common Name

English

Classification Tree Code System Code

EU-Orphan Drug

EU/3/14/1258