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| Name |
Cyanomorpholinoadriamycin |
EINECS | N/A |
| CAS No. | 88254-07-3 | Density | 1.3397 (rough estimate) |
| PSA | 216.31000 | LogP | 0.20488 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C32H34 N2 O12 | Boiling Point | 671.35°C (rough estimate) |
| Molecular Weight | 638.68 | Flash Point | 497.6oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
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-(hydroxyacetyl)-1-methoxy-,(8S,10S)- (9CI); 3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin; 3'-Deamino-3'-(3-cyano-4-morpholinyl)doxorubicin;MRA-CN |
Cyanomorpholinoadriamycin Chemical Properties
Product Name: Cyanomorpholinoadriamycin (CAS NO.88254-07-3)
Molecular Formula: C32H34N2O12
Molecular Weight: 638.68g/mol
Mol File: 88254-07-3.mol
Boiling point: 899.2 °C at 760 mmHg
Flash Point: 497.6 °C
Density: 1.59 g/cm3
Surface Tension: 94.6 dyne/cm
Enthalpy of Vaporization: 136.94 kJ/mol
Vapour Pressure: 8.59E-35 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 5
H-Bond Acceptor: 14
Structure Descriptors of Cyanomorpholinoadriamycin (CAS NO.88254-07-3):
InChI : InChI=1/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3
Smiles: c12c(C(=O)c3c(C1=O)cccc3OC)c(O)c1c(c2O)C[C@@](C(=O)CO)(O)C[C@@H]1O[C@@H]1C[C@@H]([N@@]2[C@@H](C#N)COCC2)[C@@H]([C@@H](O1)C)O
Cyanomorpholinoadriamycin Toxicity Data With Reference
| 1. | mma-sat 500 ng/plate | CNREA8 Cancer Research. 44 (1984),5599. | ||
| 2. | dni-hmn:leu 2200 pmol/L | CNREA8 Cancer Research. 46 (1986),4041. |
Cyanomorpholinoadriamycin Safety Profile
Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Cyanomorpholinoadriamycin Specification
synonyms is 3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin ; 3'-Deamino-3'-(3-cyano-4-morpholinyl)doxorubicin ; BRN 6050053 ; Mra-CN ; NSC 357704 ; 5,12-Naphthacenedione, 10-((3-(3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)- ; 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-(3-cyanomorpholino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8s-cis)- .
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