Basic information
- Name:
BLEOMYCIN PEP
- CAS No.:
68247-85-8
- Molecular Structure:
- Formula:
- C61H88N18O21S2
- Molecular Weight:
- 1473.79
- Deleted CAS:
- 71247-73-9
- Synonyms:
- Bleomycinamide,N1-[3-[[(1S)-1-phenylethyl]- amino]propyl]-;Peplomycin;Pepino mosaic virusPepleomycin;NK 631;BLM-PEP;PEPLEOMYCIN;Bleomycine Sulfate;
- Density:
- 1.56g/cm3
- Boiling Point:
- °Cat760mmHg
- Flash Point:
- °C
- Safety Description:
- Poison by subcutaneous and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. See other bleomycin entries. Details
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Chemistry
IUPAC Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-oxo-1-[2-[4-[4-[3-[[(1S)-1-
phenylethyl]amino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-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
Empirical Formula: C61H88N18O21S2
Molecular Weight: 1473.5894g/mol
XLogP3-AA: -6.7
H-Bond Donor: 21
H-Bond Acceptor: 30
Rotatable Bond Count: 38
Tautomer Count: 1000
Exact Mass: 1472.581283
MonoIsotopic Mass: 1472.581283
Topological Polar Surface Area: 639
Heavy Atom Count: 102
Formal Charge: 0
Complexity: 2740
Index of Refraction: 1.688
Molar Refractivity: 360.33 cm3
Molar Volume: 943.9 cm3
Polarizability: 142.84×10-24cm3
Surface Tension: 103.1 dyne/cm
Density: 1.56 g/cm3
Structure of Bleomycin PEP(CAS NO.68247-85-8):
Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. 44 (1985),96. | ||
| 2. | pic-esc 56 ng/plate | MUREAV Mutation Research. 88 (1981),325. | ||
| 3. | dnr-bcs 800 ng/plate | TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. 44 (1985),96. | ||
| 4. | dnd-ham:ovr 25 mg/L | JANTAJ Journal of Antibiotics. 38 (1985),1257. | ||
| 5. | scu-rat LD50: 199 mg/kg | JJANAX Japanese Journal of Antibiotics. 31 (1978),719. | ||
| 6. | ivn-rat LD50: 215 mg/kg | JJANAX Japanese Journal of Antibiotics. 31 (1978),719. | ||
| 7. | scu-mus LD50: 80 mg/kg | JJANAX Japanese Journal of Antibiotics. 31 (1978),719. | ||
| 8. | ivn-mus LD50: 45 mg/kg | JJANAX Japanese Journal of Antibiotics. 31 (1978),719. | ||
| 9. | ivn-dog LDLo:30 mg/kg | JJANAX Japanese Journal of Antibiotics. 31 (1978),719. |
Safety Profile
Poison by subcutaneous and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. See other bleomycin entries.
Specification
Bleomycin PEP , its cas register number is 68247-85-8. It also can be called N(sup 1)-(3-((1-Phenylethyl)amino)propyl)bleomycinamide ; Pepleomycin ; Peplomycin ;Peplomycina ; Peplomycina [INN-Spanish] ; Peplomycine ; Peplomycine [INN-French] ; Peplomycinum ; Peplomycinum [INN-Latin] ; CCRIS 2756 ; EINECS 269-484-0 and BRN 0782891 .When heated to decomposition it emits toxic fumes of SOx and NOx. The storage environment of Bleomycin PEP(CAS NO.68247-85-8) should be ventilate, low-temperature and dry.