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Substance Name: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate
RN: 77967-13-6
InChIKey: PRCOBLDZUHJLFC-UHFFFAOYSA-M

Molecular Formula

  • C17-H31-N-O4-P.C-H3-O4-S

Molecular Weight

  • 455.506
 
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Names and Synonyms

Synonyms

  • (m-Hydroxyphenyl)-trimethylammonium methylsulfate di-sec-butylphosphate
  • Di-sec-butylphosphostigmine
  • m-(Di-sec-butylphosphato)-N-trimethylanilinium methylsulfate
  • Ro 3-0397

Systematic Name

  • Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, di-sec-butylphosphate

Registry Numbers

CAS Registry Number

  • 77967-13-6

System Generated Number

  • 0077967136

Molecular Formulas

Molecular Formula

  • C17-H31-N-O4-P.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C17-H31-N-O4-P
  • COMPONENT

Structure Descriptors

InChI

1S/C17H31NO4P.CH4O4S/c1-8-14(3)20-23(19,21-15(4)9-2)22-17-12-10-11-16(13-17)18(5,6)7;1-5-6(2,3)4/h10-15H,8-9H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

PRCOBLDZUHJLFC-UHFFFAOYSA-M

Smiles

P(Oc1cccc(c1)[N+](C)(C)C)(O[C@@H](CC)C)(O[C@@H](CC)C)=O.S(OC)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 12800ug/kg (12.8mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 6, Pg. 593, 1951.