Name: PEPLOMYCIN
SKU: 68247-85-8

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Basic Information

Molecular Structure:
CAS No.:	68247-85-8
Name:	PEPLOMYCIN

Formula:	C₆₁H₈₈N₁₈O₂₁S₂
Molecular Weight:	1473.61
Synonyms:	Bleomycinamide,N1-[3-[[(1S)-1-phenylethyl]- amino]propyl]-;Peplomycin;Pepino mosaic virusPepleomycin;NK 631;BLM-PEP;PEPLEOMYCIN;Bleomycine Sulfate;
EINECS:	269-484-0
Density:	1.56g/cm³
Boiling Point:	°Cat760mmHg
Flash Point:	°C
Safety:	Poison by subcutaneous and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of SO_x and NO_x. See other bleomycin entries.
PSA:	695.58000
LogP:	-0.11200

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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 SO_x and NO_x. 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 SO_x and NO_x. The storage environment of Bleomycin PEP(CAS NO.68247-85-8) should be ventilate, low-temperature and dry.