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Substance Name: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139760-93-3
InChIKey: GBRYKDWNJOLNCR-QGLIKYIISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O2.C20-H18-O8

Molecular Weight

  • 660.716
 
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Names and Synonyms

  • Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate(ester), cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 139760-93-3

System Generated Number

  • 0139760933

Molecular Formulas

Molecular Formula

  • C16-H22-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C16-H22-N2-O2
  • C20-H18-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18O8.C16H22N2O2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-3-8-18(15(19)20)12-5-4-11-9-14-16(2,6-7-17-14)13(11)10-12/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);4-5,10,14,17H,3,6-9H2,1-2H3,(H,19,20)/t15-,16-;14-,16+/m11/s1

InChIKey

GBRYKDWNJOLNCR-QGLIKYIISA-N

Smiles

CCCN(c1ccc2c(c1)[C@@]3(CCN[C@@H]3C2)C)C(=O)O.Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 880ug/kg (0.88mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.