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Substance Name: Rokitamycin [INN:JAN]
RN: 74014-51-0
UNII: ZPT03UEM0E
InChIKey: VYWWNRMSAPEJLS-MDWYKHENSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C42-H69-N-O15

Molecular Weight

  • 827.999
 
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Names and Synonyms

Name of Substance

  • Rokitamycin
  • Rokitamycin [INN:JAN]

Synonyms

  • ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4'-butyrate 3'-propionate
  • 3''-O-Propionylleucomycin A5
  • BRN 5220127
  • CCRIS 5267
  • Ricamycin
  • Rokitamicina
  • Rokitamicina [Spanish]
  • Rokitamycin
  • Rokitamycine
  • Rokitamycine [French]
  • Rokitamycinum
  • Rokitamycinum [Latin]
  • TMS 19Q
  • UNII-ZPT03UEM0E

Systematic Names

  • ((4R,5S,6S,7R,9R,10R,11E,13E,16R)-7-(Formylmethyl)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-6-yl)-3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranoside 4''-butyrate 3''-propionate
  • Leucomycin V, 4(sup B)-butanoate 3(Sup B)-propanoate
  • Leucomycin V, 4B-butanoate 3B-propanoate
  • Ricamycin

Registry Numbers

CAS Registry Number

  • 74014-51-0

FDA UNII

  • ZPT03UEM0E

System Generated Number

  • 0074014510

Structure Descriptors

InChI

1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

InChIKey

VYWWNRMSAPEJLS-MDWYKHENSA-N

Smiles

C1[C@@](OC(CC)=O)([C@@H](OC(=O)CCC)[C@H](C)O[C@H]1O[C@@H]1[C@H](O[C@H]([C@@H](O)[C@H]1N(C)C)O[C@@H]1[C@H]([C@@H](CC(=O)O[C@@H](CC=CC=C[C@@H]([C@@H](C[C@@H]1CC=O)C)O)C)O)OC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 360mg/kg (360mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Chemotherapy Vol. 32(Suppl,
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Chemotherapy Vol. 32(Suppl,
mouse LD50 oral > 5gm/kg (5000mg/kg)   Journal of Antibiotics. Vol. 34, Pg. 1001, 1981.
mouse LD50 subcutaneous > 4gm/kg (4000mg/kg)   Chemotherapy Vol. 32(Suppl,
rat LD50 intraperitoneal > 4gm/kg (4000mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Chemotherapy Vol. 32(Suppl,
rat LD50 oral > 4gm/kg (4000mg/kg)   Chemotherapy Vol. 32(Suppl,
rat LD50 oral > 4gm/kg (4000mg/kg) GASTROINTESTINAL: OTHER CHANGES Chemotherapy Vol. 32(Suppl,
rat LD50 subcutaneous > 4gm/kg (4000mg/kg)   Chemotherapy Vol. 32(Suppl,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 116 deg C   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 0.116 mg/L 25 EST
Vapor Pressure 5.02E-29 mm Hg 25 EST
Henry's Law Constant 3.49E-31 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.20E-10 cm3/molecule-sec 25 EST

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