Product Name

  • Name

    dibekacin sulphate (1:1)

  • EINECS 264-651-4
  • CAS No. 64070-13-9
  • Density
  • Solubility
  • Melting Point
  • Formula C18H39N5O12S
  • Boiling Point 727.7 °C at 760 mmHg
  • Molecular Weight 547.66
  • Flash Point 393.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 64070-13-9 (dibekacin sulphate (1:1))
  • Hazard Symbols
  • Synonyms 3,4-Dideoxykanamycin B sulfate;Dibekacin sulphate (1:1);4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid;KANAMYCIN B, 3,4-DIDEOXY-, SULFATE;DKB sulfate;
  • PSA 336.58000
  • LogP -2.02230

3',4'-Dideoxykanamycin B sulfate Specification

The 3',4'-Dideoxykanamycin B sulfate, with CAS registry number 64070-13-9, has the systematic name of (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol sulfate. And its classification code is Drug / Therapeutic Agent.

Physical properties of 3',4'-Dideoxykanamycin B sulfate : (1)ACD/LogP: -3.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -10.01; (4)ACD/LogD (pH 7.4): -8.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 14; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 90.04 Å2; (13)Enthalpy of Vaporization: 121.32 kJ/mol; (14)Vapour Pressure: 1.9E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S([O-])(=O)=O.O([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)CC[C@H]1N)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
(2)InChI: InChI=1/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/p-2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
(3)InChIKey: GXKUKBCVZHBTJW-ITQSZSGLBP
(4)Std. InChI: InChI=1S/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)/p-2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;/m0./s1
(5)Std. InChIKey: GXKUKBCVZHBTJW-USXQJGOZSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 396mg/kg (396mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
mouse LD50 intraperitoneal 431mg/kg (431mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
mouse LD50 intravenous 63mg/kg (63mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
mouse LD50 oral > 6950mg/kg (6950mg/kg)   Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
mouse LD50 subcutaneous 521mg/kg (521mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
rat LD50 intramuscular 560mg/kg (560mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
rat LD50 intraperitoneal 799mg/kg (799mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
rat LD50 intravenous 140mg/kg (140mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
rat LD50 oral > 6950mg/kg (6950mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.
rat LD50 subcutaneous 1376mg/kg (1376mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Japanese Journal of Antibiotics. Vol. 26, Pg. 221, 1973.

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