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Substance Name: Pyrrobutamine phosphate [USP]
RN: 135-31-9
UNII: 6B6107K1Q6
InChIKey: UAAAHOLLLRWGGL-UHFFFAOYSA-N

Molecular Formulas

  • C20-H22-Cl-N.2H3-O4-P
  • C20-H22-Cl-N.2H3-P-O4

Molecular Weight

  • 507.8412
 
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Names and Synonyms

Name of Substance

  • Pyrrobutamine diphosphate
  • Pyrrobutamine phosphate [USP]

Synonyms

  • 1-(4-(p-Chlorophenyl)-3-phenyl-2-butenyl)pyrrolidine diphosphate
  • 1-(gamma-(p-Chlorobenzyl)cinnamyl)pyrrolidine diphosphate
  • 1-(gamma-(p-Chlorobenzyl)cinnamyl)pyrrolidine phosphate (1:2)
  • 1-p-Chlorophenyl-2-phenyl-4-pyrrolidyl-2-butene diphosphate
  • EINECS 205-185-3
  • Pyronil
  • Pyrrobutamine phosphate
  • Pyrrolidine, 1-(4-(4-chlorophenyl)-3-phenyl-2-butenyl)-, phosphate (1:2)
  • UNII-6B6107K1Q6

Systematic Names

  • 1-(4-(4-Chlorophenyl)-3-phenylbut-2-enyl)pyrrolidine pentahydrogenbis(phosphate)
  • Pyrrolidine, 1-(4-(4-chlorophenyl)-3-phenyl-2-butenyl)-, phosphate (1:2)
  • Pyrrolidine, 1-(gamma(p-chlorobenzyl)cinnamyl)-, diphosphate

Registry Numbers

CAS Registry Number

  • 135-31-9

FDA UNII

  • 6B6107K1Q6

Related Registry Number

  • 91-82-7 (Parent)

System Generated Number

  • 0000135319

Molecular Formulas

Molecular Formulas

  • C20-H22-Cl-N.2H3-O4-P
  • C20-H22-Cl-N.2H3-P-O4

Molecular Formula Fragments

  • C20-H22-Cl-N
  • COMPONENT
  • H3-O4-P
  • H3-P-O4

Structure Descriptors

InChI

1S/C20H22ClN.2H3O4P/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;2*1-5(2,3)4/h1-3,6-12H,4-5,13-16H2;2*(H3,1,2,3,4)

InChIKey

UAAAHOLLLRWGGL-UHFFFAOYSA-N

Smiles

OP(=O)(O)O.OP(=O)(O)O.Clc1ccc(CC(=CCN2CCCC2)c3ccccc3)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intramuscular 626mg/kg (626mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
guinea pig LD50 oral 993mg/kg (993mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
guinea pig LD50 subcutaneous 1241mg/kg (1241mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
mouse LD50 intramuscular 837mg/kg (837mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
mouse LD50 intravenous 54mg/kg (54mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
mouse LD50 oral 1116mg/kg (1116mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.
mouse LD50 subcutaneous 1270mg/kg (1270mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 458, 1952.