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Substance Name: Aclatonium napadisilate [INN:BAN:JAN]
RN: 55077-30-0
UNII: YX23434YHQ
InChIKey: HELVYVGHOJPCEV-UHFFFAOYSA-L

Note

  • Similar in chem struct to kassein R, component of pueraria root (popular in China & Japan as crude drug).

Molecular Formulas

  • C10-H20-N-O4.1/2C10-H6-O6-S2
  • C30-H46-N2-O14-S2

Molecular Weight

  • 722.8254
 

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Aclatonium napadisilate
  • Aclatonium napadisilate [INN:BAN:JAN]
  • TM 723

Synonyms

  • (2-Acetyllactoyloxyethyl)trimethylammonium 1,5-naphthalenedisulfonate
  • (2-Acetyllactoyloxyethyl)trimethylammonium hemi-1,5-naphthalenedisulfonate
  • 2-(2-(Acetyloxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium 1,5-naphthalenedisulfonate (2:1)
  • Abovis
  • Acetyllactoylcholine 1,5-naphthalenedisulfonate
  • Aciatonium napadisilat
  • Aciatonium napadisylate
  • Aclatonii napadisilas
  • Aclatonii napadisilas [INN-Latin]
  • Aclatonio
  • Aclatonio [Spanish]
  • Aclatonium napadisilat
  • Aclatonium napadisilate
  • Bis(2-acetoxypropionic acid trimethylammoniumethyl ester)naphthalene-1,5-disulfonate
  • Bis(O-acetyllactoylcholin) 1,5-naphthalindisulfonat
  • Bis(O-acetyllactylcholin) 1,5-naphthalindisulfonat
  • Choline 1,5-naphthalenedisulfonate (2:1), dilactate, diacetate
  • Napadisilate d'aclatonium
  • Napadisilate d'aclatonium [INN-French]
  • Napadisilato de aclatonio
  • Napadisilato de aclatonio [INN-Spanish]
  • SKF 100916-J
  • TM 723
  • UNII-YX23434YHQ

Systematic Names

  • 2-(2-(Acetyloxy)-1-oxopropoxy)-N,N,N-trimethylethanaminium, 1,5-naphthalenedisulfonate (2:1)
  • Choline 1,5-naphthalenedisulfonate (2:1), dilactate, diacetate
  • Ethanaminium, 2-(2-(acetyloxy)-1-oxopropoxy)-N,N,N-trimethyl-, 1,5-naphthalenedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 55077-30-0

FDA UNII

  • YX23434YHQ

System Generated Number

  • 0055077300

Molecular Formulas

Molecular Formulas

  • C10-H20-N-O4.1/2C10-H6-O6-S2
  • C30-H46-N2-O14-S2

Molecular Formula Fragments

  • C10-H20-N-O4
  • C10-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H20NO4.C10H8O6S2/c2*1-8(15-9(2)12)10(13)14-7-6-11(3,4)5;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*8H,6-7H2,1-5H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2

InChIKey

HELVYVGHOJPCEV-UHFFFAOYSA-L

Smiles

c12c(c(ccc2)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-].[N+](CCOC(=O)C(OC(=O)C)C)(C)(C)C.[N+](CCOC(=O)C(OC(=O)C)C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 10gm/kg (10000mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 23, Pg. 2171, 1981.
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 99, Pg. 1245, 1979.
mouse LD50 intravenous 41900ug/kg (41.9mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 1204, 1981.
mouse LD50 oral 15gm/kg (15000mg/kg)   United States Patent Document. Vol. #3903137,
mouse LD50 subcutaneous 826mg/kg (826mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED

BEHAVIORAL: TREMOR
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 497, 1977.
rat LD50 intravenous 46mg/kg (46mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: TREMOR

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 497, 1977.
rat LD50 oral > 13889mg/kg (13889mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 12, Pg. 1204, 1981.
rat LD50 subcutaneous 986mg/kg (986mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 497, 1977.