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Marcellomycin
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Name

Marcellomycin

 EINECS N/A
CAS No. 63710-10-1 Density 1.49g/cm3
PSA 260.67000 LogP 1.62590
Solubility N/A Melting Point 146°C
Formula C42H55NO17 Boiling Point 947.1°Cat760mmHg
Molecular Weight 845.98 Flash Point 526.6°C
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal and intravenous routes. 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 Molecular Structure of 63710-10-1 (Marcellomycin) Hazard Symbols N/A
Synonyms

Antibiotic ma 144U2;Rhodirubin e;

 

Marcellomycin Chemical Properties

Empirical Formula of Marcellomycin (CAS NO.63710-10-1): C42H55NO17
Molecular Weight: 845.8826 g/mol
Index of Refraction: 1.653
Density: 1.49 g/cm3
Flash Point: 526.6 °C
Enthalpy of Vaporization: 144.4 kJ/mol
Boiling Point: 947.1 °C at 760 mmHg
Structure of Marcellomycin (CAS NO.63710-10-1):
                          
IUPAC Name: Methyl (1R,2R,4S)-4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Canonical SMILES: CCC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O
Isomeric SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O
InChI: InChI=1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16?,17?,18?,21?,24?,25?,26-27?,28?,29?,34-,35?,39?,40?,42+/m0/s1
InChIKey: VJRAUFKOOPNFIQ-XAYJNONASA-N

Marcellomycin Toxicity Data With Reference

1.    

dnd-rat:lvr 11,300 nmol/L

     MOPMA3    Molecular Pharmacology. 14 (1978),290.
2.    

dni-mus:leu 950 nmol/L

     JANTAJ    Journal of Antibiotics. 34 (1981),1596.
3.    

oms-mus:leu 50 nmol/L

     JANTAJ    Journal of Antibiotics. 34 (1981),1596.
4.    

ipr-mus LD50:10,506 µg/kg

     JANTAJ    Journal of Antibiotics. 30 (1977),519.
5.    

ivn-mus LD50:15,734 µg/kg

     DCTODJ    Drug and Chemical Toxicology. 6 (1983),21.
6.    

ivn-dog LDLo:2952 µg/kg

     DCTODJ    Drug and Chemical Toxicology. 6 (1983),21.

Marcellomycin Safety Profile

Poison by intraperitoneal and intravenous routes. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition Marcellomycin (CAS NO.63710-10-1) emits toxic fumes of NOx.

Marcellomycin Specification

 Marcellomycin , its cas register number is 63710-10-1. It also can be called Rhodirubin E ; and 1-Naphthacenecarboxylic acid, 4-((O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1-alpha,2-beta,4-beta))- .

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