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Substance Name: Rosaramicin [USAN:INN:BAN]
RN: 35834-26-5
UNII: E907BNQ7SH
InChIKey: IUPCWCLVECYZRV-JZMZINANSA-N

Classification Codes

  • Antibacterial
  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H51-N-O9

Molecular Weight

  • 581.7419
 
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Names and Synonyms

Name of Substance

  • Rosaramicin
  • Rosaramicin [USAN:INN:BAN]

Synonyms

  • 3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-((3,4,6-tridesoxy-3-dimethylamino-beta-O-xylo-hexopyranosyl)oxy)-4,17-dioxabicyclo(14.1.0)heptadec-14-en-10-acetaldehyd
  • 4'-Deoxycirramycin A(sub 1)
  • Antibiotic 67-694
  • Antibiotic M 4365A2
  • Cirramycin A(sub 1), 4'-deoxy-
  • EINECS 252-742-1
  • Juvenimicin A3
  • M 4365A2
  • M-4365A2
  • NSC 175150
  • Rosamicin
  • Rosaramicin
  • Rosaramicina
  • Rosaramicina [INN-Spanish]
  • Rosaramicine
  • Rosaramicine [INN-French]
  • Rosaramicinum
  • Rosaramicinum [INN-Latin]
  • Sch 14947
  • Stereoisomer of 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-4,17-dioxabicyclo(14.1.0)heptadec-14-ene-10-acetaldehyde
  • UNII-E907BNQ7SH

Systematic Names

  • 4,17-Dioxabicyclo(14.1.0)heptadec-14-ene-10-acetaldehyde, 3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-
  • Cirramycin A1, 4'-deoxy-
  • Rosaramicin

Registry Numbers

CAS Registry Number

  • 35834-26-5

FDA UNII

  • E907BNQ7SH

System Generated Number

  • 0035834265

Structure Descriptors

InChI

1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1

InChIKey

IUPCWCLVECYZRV-JZMZINANSA-N

Smiles

CC[C@@H]1[C@H]([C@H]2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   Journal of Antibiotics. Vol. 43, Pg. 938, 1990.
mouse LD50 intravenous 155mg/kg (155mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 641, 1972.
mouse LD50 oral 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 647, 1972.
mouse LD50 subcutaneous 625mg/kg (625mg/kg)   Journal of Antibiotics. Vol. 25, Pg. 641, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.79 (none) 25 EXP
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 29.1 mg/L 25 EST
Vapor Pressure 5.96E-21 mm Hg 25 EST
Henry's Law Constant 2.68E-25 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.64E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.