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| Name |
Talisomycin S10b |
EINECS | N/A |
| CAS No. | 76069-32-4 | Density | 1.1164 (rough estimate) |
| PSA | 814.74000 | LogP | -3.72280 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C59H91N19O26S2 | Boiling Point | N/A |
| Molecular Weight | 1546.81 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Talisomycin S10b Chemical Properties
Molecule structure of Talisomycin S10b (CAS NO.76069-32-4) :
IUPAC Name: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[2-[4-[4-(4-aminobutylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Molecular Weight: 1546.59554 g/mol
Molecular Formula: C59H91N19O26S2
Density: 1.65 g/cm3
Index of Refraction: 1.704
Molar Refractivity: 363.67 cm3
Molar Volume: 936.4 cm3
Polarizability: 144.17×10-24 cm3
Surface Tension: 116.6 dyne/cm
XLogP3-AA: -12.3
H-Bond Donor: 25
H-Bond Acceptor: 36
Rotatable Bond Count: 38
Tautomer Count: 1000
Exact Mass: 1545.582406
MonoIsotopic Mass: 1545.582406
Topological Polar Surface Area: 758
Heavy Atom Count: 106
Complexity: 2900
InChI: InChI=1S/C59H91N19O26S2/c1-18-33(75-48(77-46(18)64)23(9-30(62)83)69-11-22(61)47(65)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(66)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(63)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-5-7-60/h12,15-17,19-23,27-29,32,34-45,53,56-58,69,79-82,85-91H,5-11,13-14,60-61,63H2,1-4H3,(H2,62,83)(H2,65,92)(H2,66,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,64,75,77)
InChIKey of Talisomycin S10b (CAS NO.76069-32-4) : MCUABSGWIRKSSZ-UHFFFAOYSA-N
Talisomycin S10b Toxicity Data With Reference
| 1. | dnd-omi 107 nmol/L | CNREA8 Cancer Research. 40 (1980),4173. | ||
| 2. | dni-hmn:lym 50 mg/L | MUREAV Mutation Research. 112 (1983),119. | ||
| 3. | ipr-mus LD50:123 mg/kg | JANTAJ Journal of Antibiotics. 34 (1981),665. | ||
| 4. | ivn-mus LD50:104 mg/kg | DCTODJ Drug and Chemical Toxicology. 7 (1984),259. |
Talisomycin S10b Safety Profile
Poison by intravenous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx and SOx.
Talisomycin S10b Specification
Talisomycin S10b (CAS NO.76069-32-4) is also called BRN 4325250 ; Talisomycin S(sub 10b) ; Tallysomycin S(sub 10b) ;Bleomycinamide, N(sup 1)-(4-aminobutyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxy- .
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