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Substance Name: Spiro(isoquinoline-4(1H),4'-(4H)pyran)-1,3(2H)-dione, 2',3',5',6'-tetrahydro-2-(2-(diethylamino)ethyl)-2',6'-dimethyl-, phosphate (1:1)
RN: 13613-88-2
InChIKey: OFQCQIGMURIECL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N2-O3.H3-O4-P

Molecular Weight

  • 456.473
 
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Names and Synonyms

Synonym

  • Preparation II

Systematic Name

  • Spiro(isoquinoline-4(1H),4'-(4H)pyran)-1,3(2H)-dione, 2',3',5',6'-tetrahydro-2-(2-(diethylamino)ethyl)-2',6'-dimethyl-, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 13613-88-2

System Generated Number

  • 0013613882

Molecular Formulas

Molecular Formula

  • C21-H30-N2-O3.H3-O4-P

Molecular Formula Fragments

  • C21-H30-N2-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C21H30N2O3.H3O4P/c1-5-22(6-2)11-12-23-19(24)17-9-7-8-10-18(17)21(20(23)25)13-15(3)26-16(4)14-21;1-5(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3;(H3,1,2,3,4)

InChIKey

OFQCQIGMURIECL-UHFFFAOYSA-N

Smiles

C1(c2ccccc2C2(C[C@@H](O[C@@H](C2)C)C)C(=O)N1CCN(CC)CC)=O.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 139mg/kg (139mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 15, Pg. 420, 1967.
mouse LD50 oral 208mg/kg (208mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 15, Pg. 420, 1967.