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Substance Name: Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139894-38-5
InChIKey: MFXHXQLXZOHICF-PMAJRURASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H32-N2-O2.C20-H18-O8

Molecular Weight

  • 730.85
 
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Names and Synonyms

  • Carbamic acid, hexyl-, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methylindeno(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

  • 139894-38-5

System Generated Number

  • 0139894385

Molecular Formulas

Molecular Formula

  • C21-H32-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C20-H18-O8
  • C21-H32-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32N2O2.C20H18O8/c1-4-6-7-8-16(5-2)23(20(24)25)17-10-9-15-13-19-21(3,11-12-22-19)18(15)14-17;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/h9-10,14,16,19,22H,4-8,11-13H2,1-3H3,(H,24,25);3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t16?,19-,21+;15-,16-/m11/s1

InChIKey

MFXHXQLXZOHICF-PMAJRURASA-N

Smiles

CCCCCC(CC)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 5mg/kg (5mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.