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Substance Name: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1,3a-dimethylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139760-82-0
InChIKey: MSIVBHPPGHOBGY-KMQZDASRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O2.C20-H18-O8

Molecular Weight

  • 716.8232
 
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Names and Synonyms

  • Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1,3a-dimethylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 139760-82-0

System Generated Number

  • 0139760820

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C20-H18-O8
  • C20-H30-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30N2O2.C20H18O8/c1-4-5-6-7-14(2)22(19(23)24)16-9-8-15-12-18-20(3,10-11-21-18)17(15)13-16;1-11-3-7-13(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/h8-9,13-14,18,21H,4-7,10-12H2,1-3H3,(H,23,24);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t14?,18-,20+;15-,16-/m11/s1

InChIKey

MSIVBHPPGHOBGY-KMQZDASRSA-N

Smiles

CCCCCC(C)N(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 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.