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Substance Name: Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-3a-methyl-1-propylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139761-00-5
InChIKey: ZLQVLGBEXPXCDD-OUZFWMDWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H36-N2-O2.C20-H18-O8

Molecular Weight

  • 758.9036
 
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Names and Synonyms

  • Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-3a-methyl-1-propylindeno(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

  • 139761-00-5

System Generated Number

  • 0139761005

Molecular Formulas

Molecular Formula

  • C23-H36-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C20-H18-O8
  • C23-H36-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H36N2O2.C20H18O8/c1-4-6-7-8-10-18(9-5-2)25-22(26)27-19-12-11-17-15-21-23(3,13-14-24-21)20(17)16-19;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/h11-12,16,18,21,24H,4-10,13-15H2,1-3H3,(H,25,26);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t18?,21-,23+;15-,16-/m11/s1

InChIKey

ZLQVLGBEXPXCDD-OUZFWMDWSA-N

Smiles

CCCCCCC(CCC)NC(=O)Oc1ccc2c(c1)[C@@]3(CCN[C@@H]3C2)C.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 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.