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Substance Name: 1H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-
RN: 59496-26-3
InChIKey: SEYPSTRDPZHIHU-HPTIFWHNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N3-O4.Cl-H

Molecular Weight

  • 445.944
 
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Names and Synonyms

Synonym

  • BL-4712A

Systematic Name

  • 1H-Indole-3-carboxylic acid, 2-(3-(dimethylamino)propyl)octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3a-alpha,4-alpha,5-beta,7-alpha,7a-alpha)-(+-)-

Registry Numbers

CAS Registry Number

  • 59496-26-3

System Generated Number

  • 0059496263

Molecular Formulas

Molecular Formula

  • C23-H27-N3-O4.Cl-H

Molecular Formula Fragments

  • C23-H27-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27N3O4.ClH/c1-25(2)8-5-9-26-21(27)19-13-10-15(20(19)22(26)28)18(11-13)30-23(29)16-12-24-17-7-4-3-6-14(16)17;/h3-4,6-7,12-13,15,18-20,24H,5,8-11H2,1-2H3;1H/t13-,15+,18?,19?,20?;/m1./s1

InChIKey

SEYPSTRDPZHIHU-HPTIFWHNSA-N

Smiles

C1([C@@H]2[C@@H]([C@H]3C[C@@H]([C@H]2C3)OC(c2c3c(cccc3)[nH]c2)=O)C(=O)N1CCC[NH+](C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 83mg/kg (83mg/kg)   Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 3, Pg. 29, 1982.