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Substance Name: Carbamic acid, propyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
RN: 139760-91-1
InChIKey: DWENQLVDMVZGKZ-MGOBSYGQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O2.C20-H18-O8

Molecular Weight

  • 688.7696
 
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Names and Synonyms

  • Carbamic acid, propyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-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

  • 139760-91-1

System Generated Number

  • 0139760911

Molecular Formulas

Molecular Formula

  • C18-H26-N2-O2.C20-H18-O8

Molecular Formula Fragments

  • C18-H26-N2-O2
  • C20-H18-O8
  • COMPONENT

Structure Descriptors

InChI

1S/C20H18O8.C18H26N2O2/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;1-4-13(5-2)20(17(21)22)14-7-6-12-10-16-18(3,8-9-19-16)15(12)11-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);6-7,11,13,16,19H,4-5,8-10H2,1-3H3,(H,21,22)/t15-,16-;16-,18+/m11/s1

InChIKey

DWENQLVDMVZGKZ-MGOBSYGQSA-N

Smiles

CCC(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 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 1429, 1992.