5,12-Naphthacenedione,10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)-

Modify Date: 2025-08-25 17:14:53

5,12-Naphthacenedione,10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)- structure	Common Name	5,12-Naphthacenedione,10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)-
	CAS Number	88254-07-3	Molecular Weight	638.61900
	Density	1.59g/cm3	Boiling Point	899.2ºC at 760 mmHg
	Molecular Formula	C₃₂H₃₄N₂O₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	497.6ºC

Name	3'-deamino-3'-(3-cyanomorpholin-4-yl)doxorubicin
Synonym	More Synonyms

Density	1.59g/cm3
Boiling Point	899.2ºC at 760 mmHg
Molecular Formula	C₃₂H₃₄N₂O₁₂
Molecular Weight	638.61900
Flash Point	497.6ºC
Exact Mass	638.21100
PSA	216.31000
LogP	0.20488
Index of Refraction	1.697
InChIKey	YIMDLWDNDGKDTJ-QLKYHASDSA-N
SMILES	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N2CCOCC2C#N)C(O)C(C)O1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QI9405000

CHEMICAL NAME :: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-(3-cyanomorpholino)-2,3,6- trideoxy- alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-m ethoxy-6,8,11-trihydr oxy-, (8s-cis)-

CAS REGISTRY NUMBER :: 88254-07-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 16

MOLECULAR FORMULA :: C32-H34-N2-O12

MOLECULAR WEIGHT :: 638.68

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 ug/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - hamster Lung

DOSE/DURATION :: 30 ng/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,5599,1984

2-(2-oxoethoxy)...

CAS#:7456-83-9

Doxorubicin Hyd...

CAS#:25316-40-9

~0%

N/A

CAS#:89164-77-2

3'-deamino-3'-(...

CAS#:80875-73-6

Detail

Literature: Acton; Tong; Mosher; Wolgemuth Journal of Medicinal Chemistry, 1984 , vol. 27, # 5 p. 638 - 645

2-(2-oxoethoxy)...

CAS#:7456-83-9

Doxorubicin Hyd...

CAS#:25316-40-9

Acetonitrile

CAS#:75-05-8

~0%

N/A

CAS#:89164-77-2

Detail

Literature: Acton; Tong; Mosher; Wolgemuth Journal of Medicinal Chemistry, 1984 , vol. 27, # 5 p. 638 - 645

Precursor 3
CAS#:7456-83-9 2-(2-oxoethoxy)... CAS#:25316-40-9 Doxorubicin Hyd... CAS#:75-05-8 Acetonitrile
DownStream 0

5,12-Naphthacenedione, 10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-.α.- L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11- trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-

MRA-CN

3'-deamino-3'-(3-cyano-4-morpholinyl)doxorubicin

cyanomorpholino-doxorubicin

3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin

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5,12-Naphthacenedione,10-[[3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-,(8S,10S)-

Names

Chemical & Physical Properties

Toxicological Information