Product Name

  • Name

    Quinomycin C(7CI,8CI,9CI)

  • EINECS
  • CAS No. 11001-74-4
  • Density 1.36g/cm3
  • Solubility
  • Melting Point
  • Formula C55H72 N12 O12 S2
  • Boiling Point 1418.6°Cat760mmHg
  • Molecular Weight 1157.51
  • Flash Point 811.7°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 11001-74-4 (Quinomycin C(7CI,8CI,9CI))
  • Hazard Symbols
  • Synonyms QuinomycinA, 4-(N,4-dimethyl-L-alloisoleucine)-8-(N,4-dimethyl-L-alloisoleucine)-;9,22-Dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane, cyclicpeptide deriv.; Antibiotic U 48160
  • PSA
  • LogP

Quinomycin C Chemical Properties

Molecule structure of Quinomycin C (CAS NO.11001-74-4):

IUPAC Name: N-[3,11,13,16,24,26-Hexamethyl-4,17-bis(3-methylbutan-2-yl)-27-methylsulfanyl-2,5,9,12,15,18,22,
25-octaoxo-21-(quinoxaline-2-carbonylamino)-6,19-dioxa-28-thia-3,10,13,16,23,26-hexazabicyclo[12.12.3]nonacosan-8-yl]quinoxaline-2-carboxamide 
Molecular Weight: 1157.36338 g/mol
Molecular Formula: C55H72N12O12S2 
Density: 1.36 g/cm3 
Boiling Point: 1418.6 °C at 760 mmHg 
Flash Point: 811.7 °C
Index of Refraction: 1.64
Molar Refractivity: 304.79 cm3
Molar Volume: 845.2 cm3
Polarizability: 120.83×10-24 cm3
Surface Tension: 72 dyne/cm 
Enthalpy of Vaporization: 217.44 kJ/mol
XLogP3-AA: 4.3
H-Bond Donor: 4
H-Bond Acceptor: 16
Rotatable Bond Count: 9
Tautomer Count: 16
Exact Mass: 1156.483407
MonoIsotopic Mass: 1156.483407
Topological Polar Surface Area: 302
Heavy Atom Count: 81
Complexity: 2300
Canonical SMILES: CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C
InChI: InChI=1S/C55H72N12O12S2/c1-27(2)29(5)42-53(76)78-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)79-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-81-55(44)80-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)
InChIKey of Quinomycin C (CAS NO.11001-74-4): WNYOPINACXXCOV-UHFFFAOYSA-N

Quinomycin C Toxicity Data With Reference

1.    

orl-mus LD50:5 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 4 (2)(1980),83.
2.    

ipr-mus LD50:25 µg/kg

     85FZAT    Index of Antibiotics from Actinomycetes Umezawa, H., et al., eds.,Tokyo, Japan.: University of Tokyo Press,1967,550.
3.    

scu-mus LD50:790 µg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 4 (2)(1980),83.
4.    

ivn-mus LD50:480 µg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 4 (2)(1980),83.

Quinomycin C Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and SOx.

Quinomycin C Specification

 Quinomycin C (CAS NO.11001-74-4) is also named as Antibiotic U 48160 ; BRN 1071168 ; Quinomycin A, 4-(N,4-dimethyl-L-alloisoleucine)-8-(N,4-dimethyl-L-alloisoleucine)- ; U 48160 .

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